(* Content-type: application/vnd.wolfram.mathematica *) (*** Wolfram Notebook File ***) (* http://www.wolfram.com/nb *) (* CreatedBy='Mathematica 9.0' *) (*CacheID: 234*) (* Internal cache information: NotebookFileLineBreakTest NotebookFileLineBreakTest NotebookDataPosition[ 157, 7] NotebookDataLength[ 85331, 1696] NotebookOptionsPosition[ 83784, 1645] NotebookOutlinePosition[ 84388, 1667] CellTagsIndexPosition[ 84345, 1664] WindowFrame->Normal*) (* Beginning of Notebook Content *) Notebook[{ Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"F2", " ", "with", " ", "tetrahedric", " ", RowBox[{"clouds", ":", " ", RowBox[{"Linnet", " ", "cannot", " ", "represent", " ", RowBox[{"F2", " ", "!"}], " ", "18.05", ".2013"}]}]}], " ", "*)"}], "\n", RowBox[{ RowBox[{ RowBox[{"Clear", "[", RowBox[{ "a", ",", "z", ",", "sig1", ",", "sig2", ",", "sig3", ",", "sig4", ",", "k1", ",", "k2", ",", "k3", ",", "k4", ",", "k5", ",", "nc", ",", "vee", ",", "vne", ",", "vnn", ",", "R1", ",", "R2", ",", "R3", ",", "R4", ",", "R5", ",", "\n", "xw", ",", "yw", ",", "zw", ",", "xn", ",", "yn", ",", "zn", ",", "ow", ",", "cn", ",", "rr", ",", "d1", ",", "d2", ",", "d3", ",", "d4", ",", "d5", ",", "i", ",", "j", ",", "d", ",", "t", ",", "sq", ",", "Ekin", ",", "Epot", ",", "pi", ",", "p", ",", "cc", ",", "dv", ",", "dw", ",", "dcw", ",", "dcc", ",", "tw", ",", "tv", ",", "w4", ",", "w5", ",", "q"}], "]"}], ";"}], "\n", RowBox[{ RowBox[{"bohr", "=", "0.529177"}], ";"}], " ", "\[IndentingNewLine]", RowBox[{ RowBox[{"R1", "=", "0.1486"}], ";", RowBox[{"\[Alpha]", "=", "1.23"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"R3", "=", "0.96"}], ";", " ", RowBox[{"R2", "=", "1.166"}], ";"}], "\n"}]}]], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773415047046976`*^9, 3.5773415137059135`*^9}, { 3.5773416513449545`*^9, 3.577341669752987*^9}, {3.5773417239318824`*^9, 3.577341893956581*^9}, 3.5773419407566633`*^9, {3.5773420175555983`*^9, 3.577342056165666*^9}, {3.5773420929973307`*^9, 3.5773421056489525`*^9}, { 3.5773421396414127`*^9, 3.5773423470593767`*^9}, {3.577342382081438*^9, 3.577342441158742*^9}, {3.5773425028880506`*^9, 3.577342523682887*^9}, { 3.5773425980794177`*^9, 3.5773426626791315`*^9}, {3.5773426933487854`*^9, 3.5773426941131864`*^9}, {3.577342738354864*^9, 3.577342889035529*^9}, { 3.5773429412644205`*^9, 3.57734295234044*^9}, {3.577342991824109*^9, 3.5773430231333647`*^9}, {3.5773430561274223`*^9, 3.577343143737176*^9}, { 3.5773431993668737`*^9, 3.577343258334977*^9}, 3.5773434426249013`*^9, { 3.577343480042567*^9, 3.5773435125686235`*^9}, {3.5773436063903885`*^9, 3.5773436272008247`*^9}, {3.5773436617392855`*^9, 3.5773437808610945`*^9}, {3.577343868193248*^9, 3.577343879659268*^9}, { 3.5773439214829416`*^9, 3.577344118838888*^9}, {3.5773441503509436`*^9, 3.577344170740179*^9}, {3.5773446920694942`*^9, 3.577344693286297*^9}, 3.5773526894956493`*^9, {3.5773528388503113`*^9, 3.577352838897112*^9}, { 3.577353457328998*^9, 3.577353503364679*^9}, {3.5773556679320807`*^9, 3.5773557165573664`*^9}, 3.5773607112650003`*^9, {3.577363145384075*^9, 3.5773631641821084`*^9}, 3.5773713130222435`*^9, {3.5773735851350346`*^9, 3.577373695474028*^9}, {3.577373964730501*^9, 3.5773739677725067`*^9}, 3.5773740596254673`*^9, {3.577374092245125*^9, 3.5773741045067463`*^9}, { 3.5773741853616886`*^9, 3.577374230414568*^9}, 3.5773742637986264`*^9, { 3.5773746139412413`*^9, 3.5773746339092765`*^9}, {3.5773750495252066`*^9, 3.5773750633000307`*^9}, 3.5773754561555204`*^9, {3.5773757271123962`*^9, 3.577375728063998*^9}, 3.577375963078411*^9, {3.5773761205918875`*^9, 3.5773762048008356`*^9}, 3.5774291695117903`*^9, {3.5774424964722877`*^9, 3.5774424977046895`*^9}, {3.5774428197828555`*^9, 3.577442825336465*^9}, { 3.577442927267044*^9, 3.5774429281406455`*^9}, {3.5774429766411304`*^9, 3.577442992833959*^9}, {3.5774430583072743`*^9, 3.577443066715689*^9}, { 3.5774436977055974`*^9, 3.5774437122604227`*^9}, 3.5774438419902506`*^9, { 3.577446912512444*^9, 3.577446913651246*^9}, {3.577447169460495*^9, 3.577447179070112*^9}, {3.577449454744052*^9, 3.57744946514927*^9}, { 3.577449615377534*^9, 3.5774496616940155`*^9}, {3.577450578242425*^9, 3.5774506245901065`*^9}, {3.577451618688603*^9, 3.5774516195310044`*^9}, { 3.5774516668614874`*^9, 3.5774516695602922`*^9}, 3.577455410676982*^9, { 3.5774557532847834`*^9, 3.5774558029396706`*^9}, {3.5774565586985984`*^9, 3.5774565589793987`*^9}, 3.577457075496306*^9, {3.577457117273179*^9, 3.577457148941235*^9}, {3.577678508293971*^9, 3.5776785428012314`*^9}, { 3.5776816489512606`*^9, 3.5776816557372727`*^9}, 3.5776817445014286`*^9, { 3.5776818073071394`*^9, 3.5776818117219467`*^9}, 3.577681885338476*^9, { 3.577682125485298*^9, 3.577682126124899*^9}, 3.5776821818169966`*^9, { 3.577682250082717*^9, 3.5776822522355204`*^9}, {3.5776823382072716`*^9, 3.5776823388624725`*^9}, 3.577682369656927*^9, {3.577682527513604*^9, 3.5776825496656427`*^9}, {3.577682803010088*^9, 3.5776828162233114`*^9}, { 3.577684829687648*^9, 3.5776848354440575`*^9}, 3.5776850034095526`*^9, { 3.5776850335332055`*^9, 3.577685052362439*^9}, {3.5776850854032965`*^9, 3.5776852462551794`*^9}, {3.5776852913080587`*^9, 3.577685293601262*^9}, { 3.577685324068116*^9, 3.577685477260385*^9}, 3.5776855432329006`*^9, 3.5776855922013865`*^9, {3.577685645615881*^9, 3.577685645803081*^9}, { 3.5776856793431396`*^9, 3.5776856800139413`*^9}, {3.5776857127739983`*^9, 3.577685783754123*^9}, {3.5776858189009852`*^9, 3.5776858890075083`*^9}, { 3.5776859215491652`*^9, 3.577685994728894*^9}, 3.577686107969493*^9, { 3.5776872286366615`*^9, 3.5776873647301006`*^9}, {3.5776874640554748`*^9, 3.5776874877519164`*^9}, {3.5776877853380394`*^9, 3.577687807490078*^9}, { 3.577697174278837*^9, 3.57769723305974*^9}, {3.577698938949665*^9, 3.5776989710545216`*^9}, 3.5776992675018425`*^9, {3.5776996873921795`*^9, 3.577699689232983*^9}, {3.5777703272886305`*^9, 3.577770335821845*^9}, { 3.577773226787723*^9, 3.577773228893727*^9}, {3.577775199551588*^9, 3.5777752073828015`*^9}, {3.577788184156394*^9, 3.5777881865899982`*^9}, { 3.5778008491634393`*^9, 3.5778008555282507`*^9}, {3.577801589103939*^9, 3.577801632799616*^9}, {3.5778052419439545`*^9, 3.5778052431295567`*^9}, { 3.577809188251686*^9, 3.5778092039453135`*^9}, {3.577809267531025*^9, 3.577809279043845*^9}, {3.5778094313625126`*^9, 3.577809438866126*^9}, { 3.577809500751435*^9, 3.577809520345069*^9}, 3.577854175078371*^9, { 3.57785477798823*^9, 3.577854780874235*^9}, {3.5778554270897703`*^9, 3.5778554580714245`*^9}, {3.577855503155504*^9, 3.577855507398711*^9}, { 3.5778846533117895`*^9, 3.577884661548604*^9}, {3.5778883011732435`*^9, 3.577888342294916*^9}, {3.5778884221358557`*^9, 3.5778884303570704`*^9}, 3.5778924889237995`*^9, 3.577892597967991*^9, {3.5778933300304766`*^9, 3.577893333743283*^9}, 3.5778934445034776`*^9, {3.5778936859919014`*^9, 3.57789369068751*^9}, 3.5778968416902447`*^9, {3.5778968733115*^9, 3.5778968737015004`*^9}, {3.5778969790484858`*^9, 3.5778969839936943`*^9}, {3.5778970399041924`*^9, 3.5778970599970274`*^9}, 3.577897095767891*^9, 3.577897163082009*^9, {3.5778974648177385`*^9, 3.5778974651297393`*^9}}], Cell[BoxData[{ RowBox[{ RowBox[{"nc", "=", "9"}], ";", " ", RowBox[{"(*", " ", RowBox[{"number", " ", "of", " ", "clouds"}], " ", "*)"}], " ", RowBox[{"z", "=", "9.0"}], ";", " ", RowBox[{"pi", "=", "0.0"}], ";"}], "\n", RowBox[{ RowBox[{"sig1", "=", "0.325"}], ";", " ", RowBox[{"sig2", "=", "0.325"}], ";", " ", RowBox[{"sig3", "=", "sig2"}], ";", " ", RowBox[{"(*", " ", RowBox[{ RowBox[{"screening", " ", RowBox[{"const", ".", " ", "from"}], " ", "e"}], "-", RowBox[{"e", " ", "interaction", " ", "in", " ", "doubly", " ", RowBox[{"occ", ".", " ", "clouds"}]}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{"g", "=", RowBox[{"Table", "[", RowBox[{"1.2", ",", RowBox[{"{", "nc", "}"}]}], "]"}]}], ";"}], "\n", RowBox[{ RowBox[{ RowBox[{ RowBox[{"g", "[", RowBox[{"[", "1", "]"}], "]"}], "=", "0.8828"}], ";", " ", RowBox[{ RowBox[{"g", "[", RowBox[{"[", "2", "]"}], "]"}], "=", "0.8828"}], ";", " ", RowBox[{ RowBox[{"g", "[", RowBox[{"[", "3", "]"}], "]"}], "=", "1.33"}], ";", RowBox[{"(*", " ", RowBox[{ RowBox[{ "parameters", " ", "for", " ", "kinetic", " ", "energy", " ", "of", " ", "clouds"}], ";"}], " ", "*)"}], "\n", RowBox[{"(*", " ", RowBox[{"cloud", " ", "charges"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{"ow", "=", RowBox[{"{", RowBox[{ RowBox[{"-", "2"}], ",", RowBox[{"-", "2"}], ",", RowBox[{"-", "2"}], ",", RowBox[{"-", "2"}], ",", RowBox[{"-", "2"}], ",", RowBox[{"-", "2"}], ",", RowBox[{"-", "2"}], ",", RowBox[{"-", "2"}], ",", RowBox[{"-", "2"}]}], "}"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", " ", RowBox[{"nucleus", " ", "charges"}], " ", "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"cn", "=", RowBox[{"{", " ", RowBox[{ "z", ",", "z", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0"}], "}"}]}], ";"}], "\n", RowBox[{"(*", " ", RowBox[{ "nuclear", " ", "coordinates", " ", "in", " ", "terms", " ", "of", " ", "radii"}], " ", "*)"}]}], "\n", RowBox[{ RowBox[{ RowBox[{"d1", "=", RowBox[{"R1", "+", "R2"}]}], ";", " ", RowBox[{"d2", "=", RowBox[{"R1", "+", "R3"}]}], ";", " ", RowBox[{"d3", "=", RowBox[{"d1", "+", RowBox[{"d2", "*", RowBox[{"Cos", "[", "\[Alpha]", "]"}]}]}]}], ";", " ", RowBox[{"d4", "=", RowBox[{"d2", "*", RowBox[{"Sin", "[", "\[Alpha]", "]"}]}]}], ";", " ", RowBox[{"d5", "=", RowBox[{"d4", "*", RowBox[{ RowBox[{"Sqrt", "[", "3", "]"}], "/", "2"}]}]}], ";"}], "\n", RowBox[{"(*", RowBox[{ RowBox[{"p", "=", RowBox[{"d1", "+", "d3"}]}], ";", " ", RowBox[{"q", "=", "d1"}], ";", " ", RowBox[{"w4", "=", RowBox[{"pi", "+", "R4"}]}], ";", " ", RowBox[{"w5", "=", RowBox[{"pi", "+", "R5"}]}], ";"}], "*)"}]}], "\n", RowBox[{ RowBox[{"xn", "=", RowBox[{"{", RowBox[{"d1", ",", RowBox[{"-", "d1"}], ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0"}], "}"}]}], ";"}], "\n", RowBox[{ RowBox[{"yn", "=", RowBox[{"{", RowBox[{ "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0"}], "}"}]}], ";"}], "\n", RowBox[{ RowBox[{ RowBox[{"zn", "=", RowBox[{"{", RowBox[{ "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0", ",", "0"}], "}"}]}], ";"}], "\n", RowBox[{"(*", " ", RowBox[{ "cloud", " ", "coordinates", " ", "in", " ", "terms", " ", "of", " ", "radii"}], " ", "*)"}], " "}], "\n", RowBox[{ RowBox[{"xw", "=", RowBox[{"{", RowBox[{"d1", ",", RowBox[{"-", "d1"}], ",", "0", ",", "d3", ",", " ", "d3", ",", " ", "d3", ",", " ", RowBox[{"-", "d3"}], ",", RowBox[{"-", "d3"}], ",", RowBox[{"-", "d3"}]}], "}"}]}], ";"}], "\n", RowBox[{ RowBox[{"yw", "=", RowBox[{"{", RowBox[{"0", ",", "0", ",", "0", ",", "d4", ",", " ", RowBox[{ RowBox[{"-", "d4"}], "/", "2"}], ",", RowBox[{ RowBox[{"-", "d4"}], "/", "2"}], ",", RowBox[{"-", "d4"}], ",", " ", RowBox[{"d4", "/", "2"}], ",", RowBox[{"d4", "/", "2"}]}], "}"}]}], ";"}], "\n", RowBox[{ RowBox[{ RowBox[{"zw", "=", RowBox[{"{", RowBox[{"0", ",", "0", ",", "0", ",", "0", ",", " ", "d5", ",", RowBox[{"-", "d5"}], ",", " ", "0", ",", " ", "d5", ",", " ", RowBox[{"-", "d5"}]}], "}"}]}], ";"}], "\n", RowBox[{"(*", " ", RowBox[{"cloud", " ", "distances", " ", "and", " ", "reciprocal"}], " ", "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"tw", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"xw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"yw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"zw", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "nc"}], "}"}]}], "]"}]}], ";"}], " ", "\n", RowBox[{"(*", RowBox[{"MatrixForm", "[", "tw", "]"}], "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"dw", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{"sq", "=", RowBox[{"Norm", "[", RowBox[{ RowBox[{"tw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"tw", "[", RowBox[{"[", "j", "]"}], "]"}]}], "]"}]}], ";", RowBox[{"If", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"sq", ">", "0"}], " ", "&&", " ", RowBox[{"j", "\[LessEqual]", "i"}]}], ")"}], ",", RowBox[{"1", "/", "sq"}], ",", "0"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "nc"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "nc"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{"MatrixForm", "[", "dw", "]"}], "*)"}], "\[IndentingNewLine]", RowBox[{"(*", " ", RowBox[{ RowBox[{"nuclear", " ", "distances", " ", "and", " ", "cloud"}], "-", RowBox[{"nucleus", " ", "reciprocal", " ", "distances"}]}], " ", "*)"}]}], "\n", RowBox[{ RowBox[{ RowBox[{"tv", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"xn", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"yn", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"zn", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "nc"}], "}"}]}], "]"}]}], ";"}], "\n", RowBox[{"(*", RowBox[{"MatrixForm", "[", "tv", "]"}], "*)"}]}], "\[IndentingNewLine]", RowBox[{ RowBox[{"dcw", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{"sq", "=", RowBox[{"Norm", "[", RowBox[{ RowBox[{"tw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"tv", "[", RowBox[{"[", "j", "]"}], "]"}]}], "]"}]}], ";", RowBox[{"If", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"sq", ">", " ", "0.0"}], " ", "&&", " ", RowBox[{"j", "\[LessEqual]", "2"}]}], ")"}], ",", RowBox[{"1", "/", "sq"}], ",", "0"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "nc"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "nc"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"(*", RowBox[{"MatrixForm", "[", "dcw", "]"}], "*)"}]}]}], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773415047046976`*^9, 3.5773415137059135`*^9}, { 3.5773416513449545`*^9, 3.577341669752987*^9}, {3.5773417239318824`*^9, 3.577341893956581*^9}, 3.5773419407566633`*^9, {3.5773420175555983`*^9, 3.577342056165666*^9}, {3.5773420929973307`*^9, 3.5773421056489525`*^9}, { 3.5773421396414127`*^9, 3.5773423470593767`*^9}, {3.577342382081438*^9, 3.577342441158742*^9}, {3.5773425028880506`*^9, 3.577342523682887*^9}, { 3.5773425980794177`*^9, 3.5773426626791315`*^9}, {3.5773426933487854`*^9, 3.5773426941131864`*^9}, {3.577342738354864*^9, 3.577342889035529*^9}, { 3.5773429412644205`*^9, 3.57734295234044*^9}, {3.577342991824109*^9, 3.5773430231333647`*^9}, {3.5773430561274223`*^9, 3.577343143737176*^9}, { 3.5773431993668737`*^9, 3.577343258334977*^9}, 3.5773434426249013`*^9, { 3.577343480042567*^9, 3.5773435125686235`*^9}, {3.5773436063903885`*^9, 3.5773436272008247`*^9}, {3.5773436617392855`*^9, 3.5773437808610945`*^9}, {3.577343868193248*^9, 3.577343879659268*^9}, { 3.5773439214829416`*^9, 3.577344118838888*^9}, {3.5773441503509436`*^9, 3.577344170740179*^9}, {3.5773446920694942`*^9, 3.577344693286297*^9}, 3.5773526894956493`*^9, {3.5773528388503113`*^9, 3.577352838897112*^9}, { 3.577353457328998*^9, 3.577353503364679*^9}, {3.5773556679320807`*^9, 3.5773557165573664`*^9}, 3.5773607112650003`*^9, {3.577363145384075*^9, 3.5773631641821084`*^9}, 3.5773713130222435`*^9, {3.5773735851350346`*^9, 3.577373695474028*^9}, {3.577373964730501*^9, 3.5773739677725067`*^9}, 3.5773740596254673`*^9, {3.577374092245125*^9, 3.5773741045067463`*^9}, { 3.5773741853616886`*^9, 3.577374230414568*^9}, 3.5773742637986264`*^9, { 3.5773746139412413`*^9, 3.5773746339092765`*^9}, {3.5773750495252066`*^9, 3.5773750633000307`*^9}, 3.5773754561555204`*^9, {3.5773757271123962`*^9, 3.577375728063998*^9}, 3.577375963078411*^9, {3.5773761205918875`*^9, 3.5773762048008356`*^9}, 3.5774291695117903`*^9, {3.5774424964722877`*^9, 3.5774424977046895`*^9}, {3.5774428197828555`*^9, 3.577442825336465*^9}, { 3.577442927267044*^9, 3.5774429281406455`*^9}, {3.5774429766411304`*^9, 3.577442992833959*^9}, {3.5774430583072743`*^9, 3.577443066715689*^9}, { 3.5774436977055974`*^9, 3.5774437122604227`*^9}, 3.5774438419902506`*^9, { 3.577446912512444*^9, 3.577446913651246*^9}, {3.577447169460495*^9, 3.577447179070112*^9}, {3.577449454744052*^9, 3.57744946514927*^9}, { 3.577449615377534*^9, 3.5774496616940155`*^9}, {3.577450578242425*^9, 3.5774506245901065`*^9}, {3.577451618688603*^9, 3.5774516195310044`*^9}, { 3.5774516668614874`*^9, 3.5774516695602922`*^9}, 3.577455410676982*^9, { 3.5774557532847834`*^9, 3.5774558029396706`*^9}, {3.5774565586985984`*^9, 3.5774565589793987`*^9}, 3.577457075496306*^9, {3.577457117273179*^9, 3.577457148941235*^9}, {3.577678508293971*^9, 3.5776785428012314`*^9}, { 3.5776816489512606`*^9, 3.5776816557372727`*^9}, 3.5776817445014286`*^9, { 3.5776818073071394`*^9, 3.5776818117219467`*^9}, 3.577681885338476*^9, { 3.577682125485298*^9, 3.577682126124899*^9}, 3.5776821818169966`*^9, { 3.577682250082717*^9, 3.5776822522355204`*^9}, {3.5776823382072716`*^9, 3.5776823388624725`*^9}, 3.577682369656927*^9, {3.577682527513604*^9, 3.5776825496656427`*^9}, {3.577682803010088*^9, 3.5776828162233114`*^9}, { 3.577684829687648*^9, 3.5776848354440575`*^9}, 3.5776850034095526`*^9, { 3.5776850335332055`*^9, 3.577685052362439*^9}, {3.5776850854032965`*^9, 3.5776852462551794`*^9}, {3.5776852913080587`*^9, 3.577685293601262*^9}, { 3.577685324068116*^9, 3.577685477260385*^9}, 3.5776855432329006`*^9, 3.5776855922013865`*^9, {3.577685645615881*^9, 3.577685645803081*^9}, { 3.5776856793431396`*^9, 3.5776856800139413`*^9}, {3.5776857127739983`*^9, 3.577685783754123*^9}, {3.5776858189009852`*^9, 3.5776858890075083`*^9}, { 3.5776859215491652`*^9, 3.577685994728894*^9}, 3.577686107969493*^9, { 3.5776872286366615`*^9, 3.5776873647301006`*^9}, {3.5776874640554748`*^9, 3.5776874877519164`*^9}, {3.5776877853380394`*^9, 3.577687807490078*^9}, { 3.577697174278837*^9, 3.57769723305974*^9}, {3.577698938949665*^9, 3.5776989710545216`*^9}, 3.5776992675018425`*^9, {3.5776993025083036`*^9, 3.577699341367972*^9}, {3.5776994640153875`*^9, 3.577699496120244*^9}, { 3.577699693788191*^9, 3.5776997265794487`*^9}, {3.5776997671863203`*^9, 3.5776997677167206`*^9}, {3.577699803175583*^9, 3.577699803783984*^9}, { 3.5776998675880966`*^9, 3.5776998682744975`*^9}, {3.577699911829774*^9, 3.5776999680366726`*^9}, {3.577770340813854*^9, 3.5777703575682836`*^9}, { 3.57777040109236*^9, 3.577770466144474*^9}, {3.577770587325487*^9, 3.5777706167159386`*^9}, {3.577770670614033*^9, 3.5777706894432664`*^9}, { 3.5777707698926077`*^9, 3.577770801389063*^9}, {3.577770851387151*^9, 3.577770892009622*^9}, {3.5777713137875633`*^9, 3.5777713421328125`*^9}, 3.5777713898844967`*^9, {3.577771482189859*^9, 3.5777715441375675`*^9}, { 3.5777716319345217`*^9, 3.5777717046306496`*^9}, {3.57777208670652*^9, 3.5777720884069233`*^9}, {3.5777722492900057`*^9, 3.5777722501324077`*^9}, {3.577772298820093*^9, 3.577772347928979*^9}, { 3.577772387069448*^9, 3.5777724011094728`*^9}, {3.5777724628699813`*^9, 3.5777724640867834`*^9}, {3.5777725348173075`*^9, 3.577772535472509*^9}, { 3.5777726008678236`*^9, 3.577772767304516*^9}, {3.577772817692604*^9, 3.577772840390644*^9}, {3.577772881746317*^9, 3.5777728836963205`*^9}, 3.5777729249271927`*^9, {3.5777729796208887`*^9, 3.5777730045497327`*^9}, 3.5777730453750043`*^9, 3.5777730778542614`*^9, {3.5777731197559347`*^9, 3.577773144934379*^9}, {3.577773188598856*^9, 3.577773204058483*^9}, { 3.5777735446850815`*^9, 3.577773565573518*^9}, {3.5777736641032915`*^9, 3.5777736802649193`*^9}, {3.5777737110749736`*^9, 3.577773757360255*^9}, { 3.5777741482345414`*^9, 3.5777741523061485`*^9}, {3.577774405822194*^9, 3.577774457239884*^9}, 3.577774494149549*^9, 3.577774526738006*^9, { 3.5777745718376856`*^9, 3.577774610338553*^9}, {3.5777746431142106`*^9, 3.5777747969148808`*^9}, 3.5777749559103603`*^9, {3.5777749904956207`*^9, 3.577774991213222*^9}, {3.577775052318529*^9, 3.5777751512539034`*^9}, 3.577775256444888*^9, {3.577775310498983*^9, 3.577775359670269*^9}, { 3.5777754112595596`*^9, 3.5777754119771614`*^9}, 3.5777754682308598`*^9, { 3.577775501942519*^9, 3.577775520007351*^9}, {3.5777812436886044`*^9, 3.5777813396911726`*^9}, {3.577781428736129*^9, 3.5777814336813374`*^9}, { 3.5777878209721565`*^9, 3.5777878541378145`*^9}, {3.5777879075211086`*^9, 3.577787952636388*^9}, {3.5777879932276587`*^9, 3.5777880083440857`*^9}, { 3.577788064004983*^9, 3.5777880923190327`*^9}, {3.5777881342675066`*^9, 3.5777881746091776`*^9}, {3.57778828427737*^9, 3.577788288692178*^9}, { 3.5777883311242523`*^9, 3.5777883470518804`*^9}, {3.5777884558932714`*^9, 3.5777885753894815`*^9}, {3.577788608305539*^9, 3.5777886580852265`*^9}, { 3.577788700283301*^9, 3.57778870563411*^9}, {3.577788765912616*^9, 3.57778885355357*^9}, {3.5777954490267544`*^9, 3.577795455719166*^9}, { 3.5777954887756243`*^9, 3.577795537166909*^9}, {3.5777955732653723`*^9, 3.577795590207002*^9}, {3.5777956205022554`*^9, 3.577795640610691*^9}, { 3.5777957491556816`*^9, 3.577795809886588*^9}, 3.57779591919598*^9, { 3.577795962376856*^9, 3.57779603864539*^9}, {3.577796068847043*^9, 3.5777961433527737`*^9}, {3.5777962295117254`*^9, 3.577796231243328*^9}, 3.5777962883862286`*^9, {3.577796331676305*^9, 3.577796332549906*^9}, 3.57779642014406*^9, {3.5777964865689764`*^9, 3.57779652826785*^9}, { 3.5777965709027247`*^9, 3.5777968014399295`*^9}, {3.577800521219663*^9, 3.577800573729355*^9}, {3.577800657719903*^9, 3.5778006618695097`*^9}, { 3.57780097488406*^9, 3.577800986833681*^9}, {3.5778011009166813`*^9, 3.577801178792018*^9}, {3.5778012158264832`*^9, 3.57780124821214*^9}, { 3.577801344339509*^9, 3.5778013721387577`*^9}, {3.5778014595613112`*^9, 3.5778014797321463`*^9}, 3.5778052599775867`*^9, 3.5778062355408998`*^9, 3.577809012361377*^9, {3.5778093581983843`*^9, 3.577809377916819*^9}, 3.5778509988815928`*^9, {3.5778539201895237`*^9, 3.5778539359923515`*^9}, { 3.5778539765368223`*^9, 3.5778540720401907`*^9}, 3.577854102943845*^9, { 3.577854197823211*^9, 3.5778542710029397`*^9}, {3.5778543785807285`*^9, 3.577854500011342*^9}, {3.577854532428199*^9, 3.5778546388515863`*^9}, { 3.577854680051258*^9, 3.577854727428541*^9}, {3.5778554835306697`*^9, 3.577855532202755*^9}, {3.57787732657312*^9, 3.5778774264444957`*^9}, { 3.5778774894686065`*^9, 3.5778776046436086`*^9}, {3.57788370263052*^9, 3.5778837650618296`*^9}, {3.577883801253893*^9, 3.577883802439495*^9}, { 3.5778838363695545`*^9, 3.577883925133711*^9}, {3.5778839773002024`*^9, 3.577884171801344*^9}, {3.577884202517798*^9, 3.5778842301922464`*^9}, { 3.577884359110873*^9, 3.577884440589816*^9}, {3.577884512412342*^9, 3.5778845286051707`*^9}, {3.577884580568862*^9, 3.5778845858104715`*^9}, { 3.5778883619509506`*^9, 3.5778883699849644`*^9}, {3.577890350798444*^9, 3.5778903689424753`*^9}, {3.5778927844039183`*^9, 3.577892803935152*^9}, { 3.5778929458486013`*^9, 3.5778929587342243`*^9}, 3.577893153843767*^9, { 3.5778932178818793`*^9, 3.5778932411571207`*^9}, 3.5778933148672495`*^9, { 3.5778934240206413`*^9, 3.5778934291686506`*^9}, {3.5778936211113873`*^9, 3.5778936614530582`*^9}, {3.5778937553340235`*^9, 3.5778937598892317`*^9}, {3.5778973974724207`*^9, 3.577897401107227*^9}, 3.577897435505287*^9, {3.577897505767811*^9, 3.577897507624214*^9}, { 3.577981575862608*^9, 3.5779815977338457`*^9}, {3.5779820163137813`*^9, 3.5779820808198943`*^9}, {3.5779821236887693`*^9, 3.577982142549203*^9}, { 3.5779821923912907`*^9, 3.5779821981789007`*^9}, {3.5779822380837708`*^9, 3.5779822853986535`*^9}, {3.5779823273003273`*^9, 3.577982417234485*^9}, { 3.5779824584185576`*^9, 3.5779824690733767`*^9}, 3.577982568764352*^9, { 3.5779833095472527`*^9, 3.5779833316056914`*^9}, {3.577983559802892*^9, 3.5779835926721497`*^9}, {3.577983635307025*^9, 3.5779836605322695`*^9}, { 3.577983703026744*^9, 3.5779837370348034`*^9}, {3.5779839359819527`*^9, 3.5779840952894325`*^9}, {3.577984220027252*^9, 3.5779842279676657`*^9}, { 3.5779842882617717`*^9, 3.577984288916973*^9}, {3.577984448442853*^9, 3.5779844817801113`*^9}, 3.5779845497182307`*^9, {3.5779845846622925`*^9, 3.577984618093151*^9}, {3.5780220136447554`*^9, 3.5780220229579716`*^9}, { 3.5780259653500967`*^9, 3.5780259941789465`*^9}, {3.5780267841955347`*^9, 3.5780267927599497`*^9}, {3.5780269289793887`*^9, 3.578026984702687*^9}, { 3.578027067850833*^9, 3.578027070799238*^9}, {3.5780271738842187`*^9, 3.5780272038674717`*^9}, {3.5780550603261447`*^9, 3.5780550749277706`*^9}, {3.578055122695054*^9, 3.5780551767491493`*^9}, { 3.5780552679625096`*^9, 3.5780553013933687`*^9}, {3.5780555053637266`*^9, 3.578055539184586*^9}, {3.5780556649832067`*^9, 3.578055693765258*^9}, { 3.5780558367239084`*^9, 3.5780559682321396`*^9}, {3.5780560031294007`*^9, 3.578056008807811*^9}, {3.5780561627488813`*^9, 3.5780561754161034`*^9}, { 3.578056235413809*^9, 3.5780562459906273`*^9}, {3.5780562843666945`*^9, 3.578056300450323*^9}, {3.5780563581548243`*^9, 3.5780563672496405`*^9}, { 3.578060825572971*^9, 3.5780608495970125`*^9}, 3.578060909516718*^9, { 3.5780609420583754`*^9, 3.578060947050384*^9}, {3.578060991526062*^9, 3.5780610359237404`*^9}, {3.5780615799746957`*^9, 3.578061600254731*^9}, { 3.578061672872859*^9, 3.578061677131666*^9}, {3.5780622402146554`*^9, 3.5780622903843436`*^9}, {3.578062378976899*^9, 3.5780623911761203`*^9}, 3.578062479207075*^9, {3.578063059746495*^9, 3.5780630971397605`*^9}, { 3.5780631734706945`*^9, 3.5780631774175014`*^9}, {3.578063702249223*^9, 3.578063710470438*^9}, 3.578063835785458*^9, {3.578063912412792*^9, 3.5780639928777337`*^9}, 3.5780642330869555`*^9}], Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{"reciprocal", " ", "nuclear", " ", "distances"}], " ", "*)"}], "\n", RowBox[{ RowBox[{ RowBox[{"dcc", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{"sq", "=", RowBox[{"Norm", "[", RowBox[{ RowBox[{"tv", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"tv", "[", RowBox[{"[", "j", "]"}], "]"}]}], "]"}]}], ";", RowBox[{"If", "[", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"sq", ">", " ", "0.0"}], " ", "&&", " ", RowBox[{"i", "\[LessEqual]", "2"}], " ", "&&", " ", RowBox[{"j", "\[LessEqual]", "2"}]}], ")"}], ",", RowBox[{"1", "/", "sq"}], ",", "0"}], "]"}]}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "nc"}], "}"}], ",", RowBox[{"{", RowBox[{"j", ",", "1", ",", "nc"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{"MatrixForm", "[", "dcc", "]"}], "*)"}], "\n", RowBox[{"(*", " ", RowBox[{ RowBox[{"sum", " ", "of", " ", "cloud"}], "-", RowBox[{"nucleus", " ", "potential", " ", "energies"}]}], " ", "*)"}], "\n", RowBox[{ RowBox[{"vne", "=", RowBox[{ RowBox[{"-", "2"}], "*", RowBox[{"(", RowBox[{"3.0", "*", RowBox[{"z", "/", "R1"}]}], ")"}]}]}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"vne", "=", RowBox[{"vne", "+", RowBox[{"cn", ".", RowBox[{"(", RowBox[{"ow", ".", "dcw"}], ")"}]}]}]}], ";"}]}]}]], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773415047046976`*^9, 3.5773415137059135`*^9}, { 3.5773416513449545`*^9, 3.577341669752987*^9}, {3.5773417239318824`*^9, 3.577341893956581*^9}, 3.5773419407566633`*^9, {3.5773420175555983`*^9, 3.577342056165666*^9}, {3.5773420929973307`*^9, 3.5773421056489525`*^9}, { 3.5773421396414127`*^9, 3.5773423470593767`*^9}, {3.577342382081438*^9, 3.577342441158742*^9}, {3.5773425028880506`*^9, 3.577342523682887*^9}, { 3.5773425980794177`*^9, 3.5773426626791315`*^9}, {3.5773426933487854`*^9, 3.5773426941131864`*^9}, {3.577342738354864*^9, 3.577342889035529*^9}, { 3.5773429412644205`*^9, 3.57734295234044*^9}, {3.577342991824109*^9, 3.5773430231333647`*^9}, {3.5773430561274223`*^9, 3.577343143737176*^9}, { 3.5773431993668737`*^9, 3.577343258334977*^9}, 3.5773434426249013`*^9, { 3.577343480042567*^9, 3.5773435125686235`*^9}, {3.5773436063903885`*^9, 3.5773436272008247`*^9}, {3.5773436617392855`*^9, 3.5773437808610945`*^9}, {3.577343868193248*^9, 3.577343879659268*^9}, { 3.5773439214829416`*^9, 3.577344118838888*^9}, {3.5773441503509436`*^9, 3.577344170740179*^9}, {3.5773446920694942`*^9, 3.577344693286297*^9}, 3.5773526894956493`*^9, {3.5773528388503113`*^9, 3.577352838897112*^9}, { 3.577353457328998*^9, 3.577353503364679*^9}, {3.5773556679320807`*^9, 3.5773557165573664`*^9}, 3.5773607112650003`*^9, {3.577363145384075*^9, 3.5773631641821084`*^9}, 3.5773713130222435`*^9, {3.5773735851350346`*^9, 3.577373695474028*^9}, {3.577373964730501*^9, 3.5773739677725067`*^9}, 3.5773740596254673`*^9, {3.577374092245125*^9, 3.5773741045067463`*^9}, { 3.5773741853616886`*^9, 3.577374230414568*^9}, 3.5773742637986264`*^9, { 3.5773746139412413`*^9, 3.5773746339092765`*^9}, {3.5773750495252066`*^9, 3.5773750633000307`*^9}, 3.5773754561555204`*^9, {3.5773757271123962`*^9, 3.577375728063998*^9}, 3.577375963078411*^9, {3.5773761205918875`*^9, 3.5773762048008356`*^9}, 3.5774291695117903`*^9, {3.5774424964722877`*^9, 3.5774424977046895`*^9}, {3.5774428197828555`*^9, 3.577442825336465*^9}, { 3.577442927267044*^9, 3.5774429281406455`*^9}, {3.5774429766411304`*^9, 3.577442992833959*^9}, {3.5774430583072743`*^9, 3.577443066715689*^9}, { 3.5774436977055974`*^9, 3.5774437122604227`*^9}, 3.5774438419902506`*^9, { 3.577446912512444*^9, 3.577446913651246*^9}, {3.577447169460495*^9, 3.577447179070112*^9}, {3.577449454744052*^9, 3.57744946514927*^9}, { 3.577449615377534*^9, 3.5774496616940155`*^9}, {3.577450578242425*^9, 3.5774506245901065`*^9}, {3.577451618688603*^9, 3.5774516195310044`*^9}, { 3.5774516668614874`*^9, 3.5774516695602922`*^9}, 3.577455410676982*^9, { 3.5774557532847834`*^9, 3.5774558029396706`*^9}, {3.5774565586985984`*^9, 3.5774565589793987`*^9}, 3.577457075496306*^9, {3.577457117273179*^9, 3.577457148941235*^9}, {3.577678508293971*^9, 3.5776785428012314`*^9}, { 3.5776816489512606`*^9, 3.5776816557372727`*^9}, 3.5776817445014286`*^9, { 3.5776818073071394`*^9, 3.5776818117219467`*^9}, 3.577681885338476*^9, { 3.577682125485298*^9, 3.577682126124899*^9}, 3.5776821818169966`*^9, { 3.577682250082717*^9, 3.5776822522355204`*^9}, {3.5776823382072716`*^9, 3.5776823388624725`*^9}, 3.577682369656927*^9, {3.577682527513604*^9, 3.5776825496656427`*^9}, {3.577682803010088*^9, 3.5776828162233114`*^9}, { 3.577684829687648*^9, 3.5776848354440575`*^9}, 3.5776850034095526`*^9, { 3.5776850335332055`*^9, 3.577685052362439*^9}, {3.5776850854032965`*^9, 3.5776852462551794`*^9}, {3.5776852913080587`*^9, 3.577685293601262*^9}, { 3.577685324068116*^9, 3.577685477260385*^9}, 3.5776855432329006`*^9, 3.5776855922013865`*^9, {3.577685645615881*^9, 3.577685645803081*^9}, { 3.5776856793431396`*^9, 3.5776856800139413`*^9}, {3.5776857127739983`*^9, 3.577685783754123*^9}, {3.5776858189009852`*^9, 3.5776858890075083`*^9}, { 3.5776859215491652`*^9, 3.577685994728894*^9}, 3.577686107969493*^9, { 3.5776872286366615`*^9, 3.5776873647301006`*^9}, {3.5776874640554748`*^9, 3.5776874877519164`*^9}, {3.5776877853380394`*^9, 3.577687807490078*^9}, { 3.577697174278837*^9, 3.57769723305974*^9}, {3.577698938949665*^9, 3.5776989710545216`*^9}, 3.5776992675018425`*^9, {3.5776993025083036`*^9, 3.577699341367972*^9}, {3.5776994640153875`*^9, 3.577699496120244*^9}, { 3.577699693788191*^9, 3.5776997265794487`*^9}, {3.5776997671863203`*^9, 3.5776997677167206`*^9}, {3.577699803175583*^9, 3.577699803783984*^9}, { 3.5776998675880966`*^9, 3.5776998682744975`*^9}, {3.577699911829774*^9, 3.5776999680366726`*^9}, {3.577770340813854*^9, 3.5777703575682836`*^9}, { 3.57777040109236*^9, 3.577770466144474*^9}, {3.577770587325487*^9, 3.5777706167159386`*^9}, {3.577770670614033*^9, 3.5777706894432664`*^9}, { 3.5777707698926077`*^9, 3.577770801389063*^9}, {3.577770851387151*^9, 3.577770892009622*^9}, {3.5777713137875633`*^9, 3.5777713421328125`*^9}, 3.5777713898844967`*^9, {3.577771482189859*^9, 3.5777715441375675`*^9}, { 3.5777716319345217`*^9, 3.5777717046306496`*^9}, {3.57777208670652*^9, 3.5777720884069233`*^9}, {3.5777722492900057`*^9, 3.5777722501324077`*^9}, {3.577772298820093*^9, 3.577772347928979*^9}, { 3.577772387069448*^9, 3.5777724011094728`*^9}, {3.5777724628699813`*^9, 3.5777724640867834`*^9}, {3.5777725348173075`*^9, 3.577772535472509*^9}, { 3.5777726008678236`*^9, 3.577772767304516*^9}, {3.577772817692604*^9, 3.577772840390644*^9}, {3.577772881746317*^9, 3.5777728836963205`*^9}, 3.5777729249271927`*^9, {3.5777729796208887`*^9, 3.5777730045497327`*^9}, 3.5777730453750043`*^9, 3.5777730778542614`*^9, {3.5777731197559347`*^9, 3.577773144934379*^9}, {3.577773188598856*^9, 3.577773204058483*^9}, { 3.5777735446850815`*^9, 3.577773565573518*^9}, {3.5777736641032915`*^9, 3.5777736802649193`*^9}, {3.5777737110749736`*^9, 3.577773757360255*^9}, { 3.5777741482345414`*^9, 3.5777741523061485`*^9}, {3.577774405822194*^9, 3.577774457239884*^9}, 3.577774494149549*^9, 3.577774526738006*^9, { 3.5777745718376856`*^9, 3.577774610338553*^9}, {3.5777746431142106`*^9, 3.5777747969148808`*^9}, 3.5777749559103603`*^9, {3.5777749904956207`*^9, 3.577774991213222*^9}, {3.577775052318529*^9, 3.5777751512539034`*^9}, 3.577775256444888*^9, {3.577775310498983*^9, 3.577775359670269*^9}, { 3.5777754112595596`*^9, 3.5777754119771614`*^9}, 3.5777754682308598`*^9, { 3.577775501942519*^9, 3.577775520007351*^9}, {3.5777812436886044`*^9, 3.5777813396911726`*^9}, {3.577781428736129*^9, 3.5777814336813374`*^9}, { 3.5777878209721565`*^9, 3.5777878541378145`*^9}, {3.5777879075211086`*^9, 3.577787952636388*^9}, {3.5777879932276587`*^9, 3.5777880083440857`*^9}, { 3.577788064004983*^9, 3.5777880923190327`*^9}, {3.5777881342675066`*^9, 3.5777881746091776`*^9}, {3.57778828427737*^9, 3.577788288692178*^9}, { 3.5777883311242523`*^9, 3.5777883470518804`*^9}, {3.5777884558932714`*^9, 3.5777885753894815`*^9}, {3.577788608305539*^9, 3.5777886580852265`*^9}, { 3.577788700283301*^9, 3.57778870563411*^9}, {3.577788765912616*^9, 3.57778885355357*^9}, {3.5777954490267544`*^9, 3.577795455719166*^9}, { 3.5777954887756243`*^9, 3.577795537166909*^9}, {3.5777955732653723`*^9, 3.577795590207002*^9}, {3.5777956205022554`*^9, 3.577795640610691*^9}, { 3.5777957491556816`*^9, 3.577795809886588*^9}, 3.57779591919598*^9, { 3.577795962376856*^9, 3.57779603864539*^9}, {3.577796068847043*^9, 3.5777961433527737`*^9}, {3.5777962295117254`*^9, 3.577796231243328*^9}, 3.5777962883862286`*^9, {3.577796331676305*^9, 3.577796332549906*^9}, 3.57779642014406*^9, {3.5777964865689764`*^9, 3.57779652826785*^9}, { 3.5777965709027247`*^9, 3.5777968014399295`*^9}, {3.577800521219663*^9, 3.577800573729355*^9}, {3.577800657719903*^9, 3.5778006618695097`*^9}, { 3.57780097488406*^9, 3.577800986833681*^9}, {3.5778011009166813`*^9, 3.577801178792018*^9}, {3.5778012158264832`*^9, 3.57780124821214*^9}, { 3.577801344339509*^9, 3.5778013721387577`*^9}, {3.5778014595613112`*^9, 3.5778014797321463`*^9}, 3.5778052599775867`*^9, 3.5778062355408998`*^9, 3.577809012361377*^9, {3.5778093581983843`*^9, 3.577809377916819*^9}, 3.5778509988815928`*^9, {3.5778539201895237`*^9, 3.5778539359923515`*^9}, { 3.5778539765368223`*^9, 3.5778540720401907`*^9}, 3.577854102943845*^9, { 3.577854197823211*^9, 3.5778542710029397`*^9}, {3.5778543785807285`*^9, 3.577854500011342*^9}, {3.577854532428199*^9, 3.5778546388515863`*^9}, { 3.577854680051258*^9, 3.577854727428541*^9}, {3.5778554835306697`*^9, 3.577855532202755*^9}, {3.57787732657312*^9, 3.5778774264444957`*^9}, { 3.5778774894686065`*^9, 3.5778776046436086`*^9}, {3.57788370263052*^9, 3.5778837650618296`*^9}, {3.577883801253893*^9, 3.577883802439495*^9}, { 3.5778838363695545`*^9, 3.577883925133711*^9}, {3.5778839773002024`*^9, 3.577884171801344*^9}, {3.577884202517798*^9, 3.5778842301922464`*^9}, { 3.577884359110873*^9, 3.577884440589816*^9}, {3.577884512412342*^9, 3.5778845286051707`*^9}, {3.577884580568862*^9, 3.5778845858104715`*^9}, { 3.5778883619509506`*^9, 3.5778883699849644`*^9}, {3.577890350798444*^9, 3.5778903689424753`*^9}, {3.5778927844039183`*^9, 3.577892803935152*^9}, { 3.5778929458486013`*^9, 3.5778929587342243`*^9}, 3.577893153843767*^9, { 3.5778932178818793`*^9, 3.5778932411571207`*^9}, 3.5778933148672495`*^9, { 3.5778934240206413`*^9, 3.5778934291686506`*^9}, {3.5778936211113873`*^9, 3.5778936614530582`*^9}, {3.5778937553340235`*^9, 3.5778937598892317`*^9}, {3.5778973974724207`*^9, 3.577897401107227*^9}, 3.577897435505287*^9, {3.577897505767811*^9, 3.577897507624214*^9}, { 3.577981575862608*^9, 3.5779815977338457`*^9}, {3.5779820163137813`*^9, 3.5779820808198943`*^9}, {3.5779821236887693`*^9, 3.577982142549203*^9}, { 3.5779821923912907`*^9, 3.5779821981789007`*^9}, {3.5779822380837708`*^9, 3.5779822853986535`*^9}, {3.5779823273003273`*^9, 3.577982417234485*^9}, { 3.5779824584185576`*^9, 3.5779824690733767`*^9}, 3.577982568764352*^9, { 3.5779833095472527`*^9, 3.5779833316056914`*^9}, {3.577983559802892*^9, 3.5779835926721497`*^9}, {3.577983635307025*^9, 3.5779836605322695`*^9}, { 3.577983703026744*^9, 3.5779837370348034`*^9}, {3.5779839359819527`*^9, 3.5779840952894325`*^9}, {3.577984220027252*^9, 3.5779842279676657`*^9}, { 3.5779842882617717`*^9, 3.577984288916973*^9}, {3.577984448442853*^9, 3.5779844817801113`*^9}, 3.5779845497182307`*^9, {3.5779845846622925`*^9, 3.577984618093151*^9}, {3.5780220136447554`*^9, 3.5780220229579716`*^9}, { 3.5780259653500967`*^9, 3.5780259941789465`*^9}, {3.5780267841955347`*^9, 3.5780267927599497`*^9}, {3.5780269289793887`*^9, 3.578026984702687*^9}, { 3.578027067850833*^9, 3.578027070799238*^9}, {3.5780271738842187`*^9, 3.5780272038674717`*^9}, {3.5780550603261447`*^9, 3.5780550749277706`*^9}, {3.578055122695054*^9, 3.5780551767491493`*^9}, { 3.5780552679625096`*^9, 3.5780553013933687`*^9}, {3.5780555053637266`*^9, 3.578055539184586*^9}, {3.5780556649832067`*^9, 3.578055693765258*^9}, { 3.5780558367239084`*^9, 3.5780559682321396`*^9}, {3.5780560031294007`*^9, 3.578056008807811*^9}, {3.5780561627488813`*^9, 3.5780561754161034`*^9}, { 3.578056235413809*^9, 3.5780562459906273`*^9}, {3.5780562843666945`*^9, 3.578056300450323*^9}, {3.5780563581548243`*^9, 3.5780563672496405`*^9}, { 3.578060825572971*^9, 3.5780608495970125`*^9}, 3.578060909516718*^9, { 3.5780609420583754`*^9, 3.578060947050384*^9}, {3.578060991526062*^9, 3.5780610161117053`*^9}, 3.578062501327914*^9, {3.578062549734799*^9, 3.5780625796712513`*^9}, 3.5780626378749537`*^9, {3.578062922513054*^9, 3.578062969968337*^9}, {3.5780630191708236`*^9, 3.5780630351452513`*^9}}], Cell[CellGroupData[{ Cell[BoxData[ RowBox[{ RowBox[{"(*", RowBox[{ RowBox[{"For", "[", " ", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", RowBox[{"nc", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", "\[IndentingNewLine]", RowBox[{"For", "[", RowBox[{ RowBox[{"j", "=", "1"}], ",", RowBox[{"j", "<", RowBox[{"nc", "+", "1"}]}], ",", RowBox[{"j", "++"}], ",", "\n", RowBox[{ RowBox[{"d", "=", RowBox[{"Sqrt", "[", RowBox[{ RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"xw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"xn", "[", RowBox[{"[", "j", "]"}], "]"}]}], ")"}], "^", "2"}], "+", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"yw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"yn", "[", RowBox[{"[", "j", "]"}], "]"}]}], ")"}], "^", "2"}], "+", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"zw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"zn", "[", RowBox[{"[", "j", "]"}], "]"}]}], ")"}], "^", "2"}]}], "]"}]}], ";", "\n", RowBox[{"If", "[", " ", RowBox[{ RowBox[{"d", ">", "0"}], ",", RowBox[{"vne", "=", RowBox[{"vne", "+", RowBox[{ RowBox[{"ow", "[", RowBox[{"[", "i", "]"}], "]"}], "*", RowBox[{ RowBox[{"cn", "[", RowBox[{"[", "j", "]"}], "]"}], "/", "d"}]}]}]}]}], "]"}]}]}], "]"}]}], "]"}], ";"}], "*)"}], "\[IndentingNewLine]", RowBox[{"(*", " ", RowBox[{ RowBox[{ RowBox[{"sum", " ", "of", " ", "cloud"}], "-", RowBox[{"cloud", " ", "potential", " ", "energies"}]}], ",", " ", RowBox[{"dw", " ", RowBox[{"symm", ".", " ", "matrix"}]}], ",", " ", RowBox[{"hence", " ", "0.5"}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"vee", "=", RowBox[{ RowBox[{"3.0", "*", RowBox[{"(", RowBox[{ RowBox[{"2.0", "*", RowBox[{"sig1", "/", "R1"}]}], "+", RowBox[{"sig2", "/", "R2"}], "+", RowBox[{"6", "*", RowBox[{"sig3", "/", "R3"}]}]}], ")"}]}], "+", RowBox[{"ow", ".", RowBox[{"(", RowBox[{"ow", ".", "dw"}], ")"}]}]}]}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{ RowBox[{"For", "[", " ", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", " ", "nc"}], " ", ",", RowBox[{"i", "++"}], ",", "\n", RowBox[{"For", "[", " ", RowBox[{ RowBox[{"j", "=", RowBox[{"i", "+", "1"}]}], ",", RowBox[{"j", "<", RowBox[{"nc", "+", "1"}]}], ",", RowBox[{"j", "++"}], ",", "\n", RowBox[{ RowBox[{"d", "=", RowBox[{"Sqrt", "[", RowBox[{ RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"xw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"xw", "[", RowBox[{"[", "j", "]"}], "]"}]}], ")"}], "^", "2"}], "+", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"yw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"yw", "[", RowBox[{"[", "j", "]"}], "]"}]}], ")"}], "^", "2"}], "+", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"zw", "[", RowBox[{"[", "i", "]"}], "]"}], "-", RowBox[{"zw", "[", RowBox[{"[", "j", "]"}], "]"}]}], ")"}], "^", "2"}]}], "]"}]}], ";", "\n", RowBox[{"If", "[", " ", RowBox[{ RowBox[{"d", ">", "0"}], " ", ",", RowBox[{"vee", "=", RowBox[{"vee", "+", RowBox[{ RowBox[{"ow", "[", RowBox[{"[", "i", "]"}], "]"}], "*", RowBox[{ RowBox[{"ow", "[", RowBox[{"[", "j", "]"}], "]"}], "/", "d"}]}]}]}]}], "]"}]}]}], "]"}]}], "]"}], ";"}], "*)"}], "\[IndentingNewLine]", RowBox[{"(*", " ", RowBox[{ RowBox[{ RowBox[{"sum", " ", "of", " ", "nucleus"}], "-", RowBox[{"nucleus", " ", "potential", " ", "energies"}]}], ",", " ", RowBox[{"dcc", " ", "symm", " ", "matrix", " ", "hence", " ", "0.5"}]}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"vnn", " ", "=", RowBox[{"0.5", "*", RowBox[{"cn", ".", RowBox[{"(", RowBox[{"cn", ".", "dcc"}], ")"}]}]}]}], ";"}], "\n", RowBox[{"(*", RowBox[{ RowBox[{"vnn", "=", RowBox[{"z", "*", RowBox[{"z", "/", RowBox[{"(", RowBox[{"2", "*", "d1"}], ")"}]}]}]}], ";"}], "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"rr", "=", RowBox[{"{", RowBox[{ "R1", ",", "R1", ",", "R2", ",", "R3", ",", "R3", ",", "R3", ",", "R3", ",", "R3", ",", "R3"}], "}"}]}], " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"ekin", "=", "0.0"}], ";"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"For", "[", " ", RowBox[{ RowBox[{"i", "=", "1"}], ",", RowBox[{"i", "<", " ", RowBox[{"nc", "+", "1"}]}], ",", RowBox[{"i", "++"}], ",", "\n", " ", RowBox[{"ekin", "=", RowBox[{"ekin", "-", RowBox[{"1.125", "*", RowBox[{"g", "[", RowBox[{"[", "i", "]"}], "]"}], "*", RowBox[{ RowBox[{"ow", "[", RowBox[{"[", "i", "]"}], "]"}], "/", RowBox[{ RowBox[{"rr", "[", RowBox[{"[", "i", "]"}], "]"}], "^", "2"}]}]}]}]}]}], "]"}], ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{ RowBox[{"Ekin", " ", "=", " ", RowBox[{ RowBox[{"2.25", "*", RowBox[{"(", RowBox[{ RowBox[{"2", "*", RowBox[{"k1", "/", RowBox[{"R1", "^", "2"}]}]}], "+", RowBox[{"k2", "/", RowBox[{"R2", "^", "2"}]}], "+", RowBox[{"6", "*", RowBox[{"k3", "/", RowBox[{"R3", "^", "2"}]}]}]}], ")"}]}], "/.", " ", "c"}]}], ";"}], "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{"epot", "=", RowBox[{"vne", "+", "vee", "+", "vnn"}]}], " ", ";"}], "\n", RowBox[{"func", "=", RowBox[{"ekin", "+", "epot"}]}], " ", "\n", RowBox[{"(*", RowBox[{"t", " ", "=", " ", RowBox[{"FindMinimum", "[", RowBox[{"func", ",", RowBox[{"{", RowBox[{"R1", ",", "0.148"}], "}"}], ",", RowBox[{"{", RowBox[{"R2", ",", "1.166"}], "}"}], ",", RowBox[{"{", RowBox[{"R3", ",", "1.1"}], "}"}], ",", RowBox[{"{", RowBox[{"\[Alpha]", ",", "1.23"}], "}"}], ",", RowBox[{"Method", " ", "\[Rule]", "\"\\""}], ",", " ", RowBox[{"MaxIterations", " ", "->", " ", "500"}]}], "]"}]}], "*)"}]}]}]], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773415047046976`*^9, 3.5773415137059135`*^9}, { 3.5773416513449545`*^9, 3.577341669752987*^9}, {3.5773417239318824`*^9, 3.577341893956581*^9}, 3.5773419407566633`*^9, {3.5773420175555983`*^9, 3.577342056165666*^9}, {3.5773420929973307`*^9, 3.5773421056489525`*^9}, { 3.5773421396414127`*^9, 3.5773423470593767`*^9}, {3.577342382081438*^9, 3.577342441158742*^9}, {3.5773425028880506`*^9, 3.577342523682887*^9}, { 3.5773425980794177`*^9, 3.5773426626791315`*^9}, {3.5773426933487854`*^9, 3.5773426941131864`*^9}, {3.577342738354864*^9, 3.577342889035529*^9}, { 3.5773429412644205`*^9, 3.57734295234044*^9}, {3.577342991824109*^9, 3.5773430231333647`*^9}, {3.5773430561274223`*^9, 3.577343143737176*^9}, { 3.5773431993668737`*^9, 3.577343258334977*^9}, 3.5773434426249013`*^9, { 3.577343480042567*^9, 3.5773435125686235`*^9}, {3.5773436063903885`*^9, 3.5773436272008247`*^9}, {3.5773436617392855`*^9, 3.5773437808610945`*^9}, {3.577343868193248*^9, 3.577343879659268*^9}, { 3.5773439214829416`*^9, 3.577344118838888*^9}, {3.5773441503509436`*^9, 3.577344170740179*^9}, {3.5773446920694942`*^9, 3.577344693286297*^9}, 3.5773526894956493`*^9, {3.5773528388503113`*^9, 3.577352838897112*^9}, { 3.577353457328998*^9, 3.577353503364679*^9}, {3.5773556679320807`*^9, 3.5773557165573664`*^9}, 3.5773607112650003`*^9, {3.577363145384075*^9, 3.5773631641821084`*^9}, 3.5773713130222435`*^9, {3.5773735851350346`*^9, 3.577373695474028*^9}, {3.577373964730501*^9, 3.5773739677725067`*^9}, 3.5773740596254673`*^9, {3.577374092245125*^9, 3.5773741045067463`*^9}, { 3.5773741853616886`*^9, 3.577374230414568*^9}, 3.5773742637986264`*^9, { 3.5773746139412413`*^9, 3.5773746339092765`*^9}, {3.5773750495252066`*^9, 3.5773750633000307`*^9}, 3.5773754561555204`*^9, {3.5773757271123962`*^9, 3.577375728063998*^9}, 3.577375963078411*^9, {3.5773761205918875`*^9, 3.5773762048008356`*^9}, 3.5774291695117903`*^9, {3.5774424964722877`*^9, 3.5774424977046895`*^9}, {3.5774428197828555`*^9, 3.577442825336465*^9}, { 3.577442927267044*^9, 3.5774429281406455`*^9}, {3.5774429766411304`*^9, 3.577442992833959*^9}, {3.5774430583072743`*^9, 3.577443066715689*^9}, { 3.5774436977055974`*^9, 3.5774437122604227`*^9}, 3.5774438419902506`*^9, { 3.577446912512444*^9, 3.577446913651246*^9}, {3.577447169460495*^9, 3.577447179070112*^9}, {3.577449454744052*^9, 3.57744946514927*^9}, { 3.577449615377534*^9, 3.5774496616940155`*^9}, {3.577450578242425*^9, 3.5774506245901065`*^9}, {3.577451618688603*^9, 3.5774516195310044`*^9}, { 3.5774516668614874`*^9, 3.5774516695602922`*^9}, 3.577455410676982*^9, { 3.5774557532847834`*^9, 3.5774558029396706`*^9}, {3.5774565586985984`*^9, 3.5774565589793987`*^9}, 3.577457075496306*^9, {3.577457117273179*^9, 3.577457148941235*^9}, {3.577678508293971*^9, 3.5776785428012314`*^9}, { 3.5776816489512606`*^9, 3.5776816557372727`*^9}, 3.5776817445014286`*^9, { 3.5776818073071394`*^9, 3.5776818117219467`*^9}, 3.577681885338476*^9, { 3.577682125485298*^9, 3.577682126124899*^9}, 3.5776821818169966`*^9, { 3.577682250082717*^9, 3.5776822522355204`*^9}, {3.5776823382072716`*^9, 3.5776823388624725`*^9}, 3.577682369656927*^9, {3.577682527513604*^9, 3.5776825496656427`*^9}, {3.577682803010088*^9, 3.5776828162233114`*^9}, { 3.577684829687648*^9, 3.5776848354440575`*^9}, 3.5776850034095526`*^9, { 3.5776850335332055`*^9, 3.577685052362439*^9}, {3.5776850854032965`*^9, 3.5776852462551794`*^9}, {3.5776852913080587`*^9, 3.577685293601262*^9}, { 3.577685324068116*^9, 3.577685477260385*^9}, 3.5776855432329006`*^9, 3.5776855922013865`*^9, {3.577685645615881*^9, 3.577685645803081*^9}, { 3.5776856793431396`*^9, 3.5776856800139413`*^9}, {3.5776857127739983`*^9, 3.577685783754123*^9}, {3.5776858189009852`*^9, 3.5776858890075083`*^9}, { 3.5776859215491652`*^9, 3.577685994728894*^9}, 3.577686107969493*^9, { 3.5776872286366615`*^9, 3.5776873647301006`*^9}, {3.5776874640554748`*^9, 3.5776874877519164`*^9}, {3.5776877853380394`*^9, 3.577687807490078*^9}, { 3.577697174278837*^9, 3.57769723305974*^9}, {3.577698938949665*^9, 3.5776989710545216`*^9}, 3.5776992675018425`*^9, {3.5776993025083036`*^9, 3.577699341367972*^9}, {3.5776994640153875`*^9, 3.577699496120244*^9}, { 3.577699693788191*^9, 3.5776997265794487`*^9}, {3.5776997671863203`*^9, 3.5776997677167206`*^9}, {3.577699803175583*^9, 3.577699803783984*^9}, { 3.5776998675880966`*^9, 3.5776998682744975`*^9}, {3.577699911829774*^9, 3.5776999680366726`*^9}, {3.577770340813854*^9, 3.5777703575682836`*^9}, { 3.57777040109236*^9, 3.577770466144474*^9}, {3.577770587325487*^9, 3.5777706167159386`*^9}, {3.577770670614033*^9, 3.5777706894432664`*^9}, { 3.5777707698926077`*^9, 3.577770801389063*^9}, {3.577770851387151*^9, 3.577770892009622*^9}, {3.5777713137875633`*^9, 3.5777713421328125`*^9}, 3.5777713898844967`*^9, {3.577771482189859*^9, 3.5777715441375675`*^9}, { 3.5777716319345217`*^9, 3.5777717046306496`*^9}, {3.57777208670652*^9, 3.5777720884069233`*^9}, {3.5777722492900057`*^9, 3.5777722501324077`*^9}, {3.577772298820093*^9, 3.577772347928979*^9}, { 3.577772387069448*^9, 3.5777724011094728`*^9}, {3.5777724628699813`*^9, 3.5777724640867834`*^9}, {3.5777725348173075`*^9, 3.577772535472509*^9}, { 3.5777726008678236`*^9, 3.577772767304516*^9}, {3.577772817692604*^9, 3.577772840390644*^9}, {3.577772881746317*^9, 3.5777728836963205`*^9}, 3.5777729249271927`*^9, {3.5777729796208887`*^9, 3.5777730045497327`*^9}, 3.5777730453750043`*^9, 3.5777730778542614`*^9, {3.5777731197559347`*^9, 3.577773144934379*^9}, {3.577773188598856*^9, 3.577773204058483*^9}, { 3.5777735446850815`*^9, 3.577773565573518*^9}, {3.5777736641032915`*^9, 3.5777736802649193`*^9}, {3.5777737110749736`*^9, 3.577773757360255*^9}, { 3.5777741482345414`*^9, 3.5777741523061485`*^9}, {3.577774405822194*^9, 3.577774457239884*^9}, 3.577774494149549*^9, 3.577774526738006*^9, { 3.5777745718376856`*^9, 3.577774610338553*^9}, {3.5777746431142106`*^9, 3.5777747969148808`*^9}, 3.5777749559103603`*^9, {3.5777749904956207`*^9, 3.577774991213222*^9}, {3.577775052318529*^9, 3.5777751512539034`*^9}, 3.577775256444888*^9, {3.577775310498983*^9, 3.577775359670269*^9}, { 3.5777754112595596`*^9, 3.5777754119771614`*^9}, 3.5777754682308598`*^9, { 3.577775501942519*^9, 3.577775520007351*^9}, {3.5777812436886044`*^9, 3.5777813396911726`*^9}, {3.577781428736129*^9, 3.5777814336813374`*^9}, { 3.5777878209721565`*^9, 3.5777878541378145`*^9}, {3.5777879075211086`*^9, 3.577787952636388*^9}, {3.5777879932276587`*^9, 3.5777880083440857`*^9}, { 3.577788064004983*^9, 3.5777880923190327`*^9}, {3.5777881342675066`*^9, 3.5777881746091776`*^9}, {3.57778828427737*^9, 3.577788288692178*^9}, { 3.5777883311242523`*^9, 3.5777883470518804`*^9}, {3.5777884558932714`*^9, 3.5777885753894815`*^9}, {3.577788608305539*^9, 3.5777886580852265`*^9}, { 3.577788700283301*^9, 3.57778870563411*^9}, {3.577788765912616*^9, 3.57778885355357*^9}, {3.5777954490267544`*^9, 3.577795455719166*^9}, { 3.5777954887756243`*^9, 3.577795537166909*^9}, {3.5777955732653723`*^9, 3.577795590207002*^9}, {3.5777956205022554`*^9, 3.577795640610691*^9}, { 3.5777957491556816`*^9, 3.577795809886588*^9}, 3.57779591919598*^9, { 3.577795962376856*^9, 3.57779603864539*^9}, {3.577796068847043*^9, 3.5777961433527737`*^9}, {3.5777962295117254`*^9, 3.577796231243328*^9}, 3.5777962883862286`*^9, {3.577796331676305*^9, 3.577796332549906*^9}, 3.57779642014406*^9, {3.5777964865689764`*^9, 3.57779652826785*^9}, { 3.5777965709027247`*^9, 3.5777968014399295`*^9}, {3.577800521219663*^9, 3.577800573729355*^9}, {3.577800657719903*^9, 3.5778006618695097`*^9}, { 3.57780097488406*^9, 3.577800986833681*^9}, {3.5778011009166813`*^9, 3.577801178792018*^9}, {3.5778012158264832`*^9, 3.57780124821214*^9}, { 3.577801344339509*^9, 3.5778013721387577`*^9}, {3.5778014595613112`*^9, 3.5778014797321463`*^9}, 3.5778052599775867`*^9, 3.5778062355408998`*^9, 3.577809012361377*^9, {3.5778093581983843`*^9, 3.577809377916819*^9}, 3.5778509988815928`*^9, {3.5778539201895237`*^9, 3.5778539359923515`*^9}, { 3.5778539765368223`*^9, 3.5778540720401907`*^9}, 3.577854102943845*^9, { 3.577854197823211*^9, 3.5778542710029397`*^9}, {3.5778543785807285`*^9, 3.577854500011342*^9}, {3.577854532428199*^9, 3.5778546388515863`*^9}, { 3.577854680051258*^9, 3.577854727428541*^9}, {3.5778554835306697`*^9, 3.577855532202755*^9}, {3.57787732657312*^9, 3.5778774264444957`*^9}, { 3.5778774894686065`*^9, 3.5778776046436086`*^9}, {3.57788370263052*^9, 3.5778837650618296`*^9}, {3.577883801253893*^9, 3.577883802439495*^9}, { 3.5778838363695545`*^9, 3.577883925133711*^9}, {3.5778839773002024`*^9, 3.577884171801344*^9}, {3.577884202517798*^9, 3.5778842301922464`*^9}, { 3.577884359110873*^9, 3.577884440589816*^9}, {3.577884512412342*^9, 3.5778845286051707`*^9}, {3.577884580568862*^9, 3.5778845858104715`*^9}, { 3.5778883619509506`*^9, 3.5778883699849644`*^9}, {3.577890350798444*^9, 3.5778903689424753`*^9}, {3.5778927844039183`*^9, 3.577892803935152*^9}, { 3.5778929458486013`*^9, 3.5778929587342243`*^9}, 3.577893153843767*^9, { 3.5778932178818793`*^9, 3.5778932411571207`*^9}, 3.5778933148672495`*^9, { 3.5778934240206413`*^9, 3.5778934291686506`*^9}, {3.5778936211113873`*^9, 3.5778936614530582`*^9}, {3.5778937553340235`*^9, 3.5778937598892317`*^9}, {3.5778973974724207`*^9, 3.577897401107227*^9}, 3.577897435505287*^9, {3.577897505767811*^9, 3.577897507624214*^9}, { 3.577981575862608*^9, 3.5779815977338457`*^9}, {3.5779820163137813`*^9, 3.5779820808198943`*^9}, {3.5779821236887693`*^9, 3.577982142549203*^9}, { 3.5779821923912907`*^9, 3.5779821981789007`*^9}, {3.5779822380837708`*^9, 3.5779822853986535`*^9}, {3.5779823273003273`*^9, 3.577982417234485*^9}, { 3.5779824584185576`*^9, 3.5779824690733767`*^9}, 3.577982568764352*^9, { 3.5779833095472527`*^9, 3.5779833316056914`*^9}, {3.577983559802892*^9, 3.5779835926721497`*^9}, {3.577983635307025*^9, 3.5779836605322695`*^9}, { 3.577983703026744*^9, 3.5779837370348034`*^9}, {3.5779839359819527`*^9, 3.5779840952894325`*^9}, {3.577984220027252*^9, 3.5779842279676657`*^9}, { 3.5779842882617717`*^9, 3.577984288916973*^9}, {3.577984448442853*^9, 3.5779844817801113`*^9}, 3.5779845497182307`*^9, {3.5779845846622925`*^9, 3.577984618093151*^9}, {3.5780220136447554`*^9, 3.5780220229579716`*^9}, { 3.5780259653500967`*^9, 3.5780259941789465`*^9}, {3.5780267841955347`*^9, 3.5780267927599497`*^9}, {3.5780269289793887`*^9, 3.578026984702687*^9}, { 3.578027067850833*^9, 3.578027070799238*^9}, {3.5780271738842187`*^9, 3.5780272038674717`*^9}, {3.5780550603261447`*^9, 3.5780550749277706`*^9}, {3.578055122695054*^9, 3.5780551767491493`*^9}, { 3.5780552679625096`*^9, 3.5780553013933687`*^9}, {3.5780555053637266`*^9, 3.578055539184586*^9}, {3.5780556649832067`*^9, 3.578055693765258*^9}, { 3.5780558367239084`*^9, 3.5780559682321396`*^9}, {3.5780560031294007`*^9, 3.578056008807811*^9}, {3.5780561627488813`*^9, 3.5780561754161034`*^9}, { 3.578056235413809*^9, 3.5780562459906273`*^9}, {3.5780562843666945`*^9, 3.578056300450323*^9}, {3.5780563581548243`*^9, 3.5780563672496405`*^9}, { 3.578060825572971*^9, 3.5780608495970125`*^9}, 3.578060909516718*^9, { 3.5780609420583754`*^9, 3.578060947050384*^9}, {3.578060991526062*^9, 3.5780610161117053`*^9}, 3.578062501327914*^9, {3.578062549734799*^9, 3.5780625796712513`*^9}, 3.5780626378749537`*^9, 3.5780638702459183`*^9}], Cell[BoxData[ RowBox[{"-", "213.34164111810685`"}]], "Output", CellChangeTimes->{3.578064244584176*^9}] }, Open ]], Cell[CellGroupData[{ Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", "func", " ", "*)"}], "\[IndentingNewLine]", RowBox[{"ekin", " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", "\n", "vne", " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", "\n", "vee", " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", "\n", "vnn", " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", "\n", RowBox[{"vir", " ", "=", " ", RowBox[{ RowBox[{"-", "epot"}], "/", "ekin"}]}], " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", " ", "\n", RowBox[{"2", "*", "d1", "*", "bohr", " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", " "}]}]}]], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773415047046976`*^9, 3.5773415137059135`*^9}, { 3.5773416513449545`*^9, 3.577341669752987*^9}, {3.5773417239318824`*^9, 3.577341893956581*^9}, 3.5773419407566633`*^9, {3.5773420175555983`*^9, 3.577342056165666*^9}, {3.5773420929973307`*^9, 3.5773421056489525`*^9}, { 3.5773421396414127`*^9, 3.5773423470593767`*^9}, {3.577342382081438*^9, 3.577342441158742*^9}, {3.5773425028880506`*^9, 3.577342523682887*^9}, { 3.5773425980794177`*^9, 3.5773426626791315`*^9}, {3.5773426933487854`*^9, 3.5773426941131864`*^9}, {3.577342738354864*^9, 3.577342889035529*^9}, { 3.5773429412644205`*^9, 3.57734295234044*^9}, {3.577342991824109*^9, 3.5773430231333647`*^9}, {3.5773430561274223`*^9, 3.577343143737176*^9}, { 3.5773431993668737`*^9, 3.577343258334977*^9}, 3.5773434426249013`*^9, { 3.577343480042567*^9, 3.5773435125686235`*^9}, {3.5773436063903885`*^9, 3.5773436272008247`*^9}, {3.5773436617392855`*^9, 3.5773437808610945`*^9}, {3.577343868193248*^9, 3.577343879659268*^9}, { 3.5773439214829416`*^9, 3.577344086609232*^9}, {3.5773444013153844`*^9, 3.5773444098953996`*^9}, {3.5773527214601054`*^9, 3.577352754235763*^9}, { 3.577352839084312*^9, 3.577352839115512*^9}, {3.5773562861299667`*^9, 3.577356291496376*^9}, {3.5773717712106485`*^9, 3.5773718737028284`*^9}, { 3.5774560203260527`*^9, 3.577456044802496*^9}, {3.577678590303315*^9, 3.577678629615384*^9}, {3.577687576656472*^9, 3.577687617044944*^9}, { 3.577703686849204*^9, 3.5777036868648043`*^9}, {3.5777751762451468`*^9, 3.577775176260747*^9}, {3.577795838871439*^9, 3.577795838918239*^9}, { 3.577806042521761*^9, 3.577806042552961*^9}, {3.577888393541006*^9, 3.577888393556606*^9}, {3.577893410713818*^9, 3.577893410760618*^9}, { 3.5778966896835775`*^9, 3.5778966896991777`*^9}, {3.5779837451780176`*^9, 3.5779837650836525`*^9}}], Cell[BoxData["199.68171989110044`"], "Output", CellChangeTimes->{3.5780642445997763`*^9}], Cell[BoxData[ RowBox[{"-", "535.8887104005684`"}]], "Output", CellChangeTimes->{3.5780642445997763`*^9}], Cell[BoxData["92.05749909469291`"], "Output", CellChangeTimes->{3.578064244615376*^9}], Cell[BoxData["30.80785029666819`"], "Output", CellChangeTimes->{3.578064244615376*^9}], Cell[BoxData["2.0684084714136883`"], "Output", CellChangeTimes->{3.578064244615376*^9}], Cell[BoxData["1.3913121684`"], "Output", CellChangeTimes->{3.578064244615376*^9}] }, Open ]], Cell[BoxData[ RowBox[{ RowBox[{"(*", RowBox[{"rr", "=", RowBox[{"{", RowBox[{ "R1", ",", "R1", ",", "R2", ",", "R3", ",", "R3", ",", "R3", ",", "R3", ",", "R3", ",", "R3"}], "}"}]}], " ", "*)"}], RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], RowBox[{"(*", ";", "*)"}]}]], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773415047046976`*^9, 3.5773415137059135`*^9}, { 3.5773416513449545`*^9, 3.577341669752987*^9}, {3.5773417239318824`*^9, 3.577341893956581*^9}, 3.5773419407566633`*^9, {3.5773420175555983`*^9, 3.577342056165666*^9}, {3.5773420929973307`*^9, 3.5773421056489525`*^9}, { 3.5773421396414127`*^9, 3.5773423470593767`*^9}, {3.577342382081438*^9, 3.577342441158742*^9}, {3.5773425028880506`*^9, 3.577342523682887*^9}, { 3.5773425980794177`*^9, 3.5773426626791315`*^9}, {3.5773426933487854`*^9, 3.5773426941131864`*^9}, {3.577342738354864*^9, 3.577342889035529*^9}, { 3.5773429412644205`*^9, 3.57734295234044*^9}, {3.577342991824109*^9, 3.5773430231333647`*^9}, {3.5773430561274223`*^9, 3.577343143737176*^9}, { 3.5773431993668737`*^9, 3.577343258334977*^9}, 3.5773434426249013`*^9, { 3.577343480042567*^9, 3.5773435125686235`*^9}, {3.5773436063903885`*^9, 3.5773436272008247`*^9}, {3.5773436617392855`*^9, 3.5773437808610945`*^9}, {3.577343868193248*^9, 3.577343879659268*^9}, { 3.5773439214829416`*^9, 3.577344086609232*^9}, {3.5773444013153844`*^9, 3.5773444098953996`*^9}, {3.5773527214601054`*^9, 3.577352754235763*^9}, { 3.577352839084312*^9, 3.577352839115512*^9}, {3.5773562861299667`*^9, 3.577356291496376*^9}, {3.5773717712106485`*^9, 3.577371904793683*^9}, { 3.577372601444106*^9, 3.577372628525754*^9}, 3.577375878432662*^9, 3.577442909545413*^9, {3.5774471930165367`*^9, 3.5774472038429556`*^9}, { 3.5774495179865627`*^9, 3.577449527440179*^9}, {3.577455105602846*^9, 3.577455114822462*^9}, {3.577455475619896*^9, 3.577455493403927*^9}, 3.577678642797407*^9, 3.5777036868804045`*^9, 3.577775176260747*^9, 3.577795838918239*^9, 3.5778060425685606`*^9, {3.5778846007864976`*^9, 3.5778846245921392`*^9}, 3.577888393556606*^9, 3.577893410760618*^9, 3.5778966896991777`*^9, 3.577983624901807*^9, {3.5779838337549734`*^9, 3.5779838471397967`*^9}, {3.5779838826142592`*^9, 3.577983890008672*^9}}], Cell[BoxData[ RowBox[{"(*", " ", RowBox[{ RowBox[{"projection", " ", "on", " ", "xy"}], "-", RowBox[{"plane", " ", "of", " ", "molecule"}]}], " ", "*)"}]], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773413317003937`*^9, 3.5773413362088013`*^9}, { 3.577352839115512*^9, 3.577352839131112*^9}, {3.5773715990175457`*^9, 3.5773716034635534`*^9}, {3.5773716711988726`*^9, 3.5773716785932856`*^9}, {3.5773719148557005`*^9, 3.5773720320119066`*^9}, {3.5773720625879602`*^9, 3.577372089326407*^9}, { 3.5773721384508934`*^9, 3.577372247229884*^9}, {3.5773723618276854`*^9, 3.577372407098965*^9}, {3.577372640428575*^9, 3.57737267169103*^9}, { 3.5773727054338894`*^9, 3.5773727803452206`*^9}, {3.577372855490553*^9, 3.5773728739765854`*^9}, {3.5773729151762576`*^9, 3.577372935331493*^9}, 3.577373068493327*^9}], Cell[CellGroupData[{ Cell[BoxData[{ RowBox[{ RowBox[{"plot0", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Darker", "[", RowBox[{"Green", ",", "0.3"}], "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"xw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"yw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"zw", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"rr", "[", RowBox[{"[", "i", "]"}], "]"}]}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "2"}], "}"}]}], "]"}]}], " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", " ", ";"}], "\n", RowBox[{ RowBox[{"plot1", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"xw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"yw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"zw", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"rr", "[", RowBox[{"[", "i", "]"}], "]"}]}], "]"}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "3", ",", "3"}], "}"}]}], "]"}]}], " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", " ", ";"}], "\n", RowBox[{ RowBox[{ RowBox[{"plot2", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.5", "]"}], ",", RowBox[{"Lighter", "[", RowBox[{"Green", ",", "0.4"}], "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"xw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"yw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"zw", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"rr", "[", RowBox[{"[", "i", "]"}], "]"}]}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "4", ",", "9"}], "}"}]}], "]"}]}], " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", " ", ";"}], "\[IndentingNewLine]", RowBox[{"(*", RowBox[{ RowBox[{"plot2a", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics3D", "[", RowBox[{"{", RowBox[{ RowBox[{"Opacity", "[", "0.5", "]"}], ",", RowBox[{"Lighter", "[", RowBox[{"Cyan", ",", "0.3"}], "]"}], ",", RowBox[{"Sphere", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"xw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"yw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"zw", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"rr", "[", RowBox[{"[", "i", "]"}], "]"}]}], "]"}]}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "10", ",", "nc"}], "}"}]}], "]"}]}], " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", " ", ";"}], "*)"}], "\[IndentingNewLine]"}], "\n", RowBox[{"Show", "[", RowBox[{"plot0", ",", "plot1", ",", "plot2", ",", RowBox[{"(*", RowBox[{"plot2a", ","}], "*)"}], RowBox[{"{", RowBox[{ RowBox[{"AspectRatio", " ", "\[Rule]", " ", "Automatic"}], ",", RowBox[{"Axes", " ", "->", " ", "True"}], ",", RowBox[{"PlotRange", " ", "\[Rule]", " ", "All"}], ",", " ", RowBox[{"AxesLabel", " ", "->", " ", RowBox[{"{", RowBox[{"xl", ",", " ", "yl", ",", " ", "zl"}], "}"}]}], ",", RowBox[{"SphericalRegion", "\[Rule]", "True"}]}], "}"}]}], "]"}], "\n"}], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773413317003937`*^9, 3.5773413362088013`*^9}, { 3.577352839115512*^9, 3.577352839131112*^9}, {3.5773715990175457`*^9, 3.5773716034635534`*^9}, {3.5773716711988726`*^9, 3.5773716785932856`*^9}, {3.5773719148557005`*^9, 3.5773720320119066`*^9}, {3.5773720625879602`*^9, 3.577372089326407*^9}, { 3.5773721384508934`*^9, 3.577372247229884*^9}, {3.5773723618276854`*^9, 3.577372407098965*^9}, {3.577372640428575*^9, 3.57737267169103*^9}, { 3.5773727054338894`*^9, 3.5773727803452206`*^9}, {3.577372855490553*^9, 3.5773728739765854`*^9}, {3.5773729151762576`*^9, 3.577372935331493*^9}, 3.577373068493327*^9, 3.577375863940237*^9, {3.577442873244149*^9, 3.5774428788913593`*^9}, {3.5774433556593966`*^9, 3.5774433846442475`*^9}, {3.5774434296971264`*^9, 3.5774434305863285`*^9}, {3.5774434802880154`*^9, 3.5774435257464952`*^9}, 3.577443563108561*^9, 3.5774436149318523`*^9, {3.577443975932086*^9, 3.5774439769772882`*^9}, {3.5774443030334606`*^9, 3.5774444499077187`*^9}, {3.577444584567155*^9, 3.5774445963139753`*^9}, { 3.577444660835689*^9, 3.577444676014516*^9}, {3.577444738118225*^9, 3.577444777929495*^9}, 3.5774449044145164`*^9, {3.5774460837297883`*^9, 3.577446116255845*^9}, {3.577446165957533*^9, 3.5774461885775723`*^9}, { 3.577446237358858*^9, 3.5774463455450478`*^9}, {3.577446401939147*^9, 3.5774464300347967`*^9}, 3.5774465521986113`*^9, {3.577446588484275*^9, 3.5774466383887625`*^9}, 3.5774507241494813`*^9, {3.577451828867772*^9, 3.5774518404585924`*^9}, {3.5774520011856747`*^9, 3.577452007347686*^9}, { 3.5774555692980604`*^9, 3.5774555760684724`*^9}, {3.5774556601526203`*^9, 3.5774556771410503`*^9}, {3.5774566838108177`*^9, 3.577456688662427*^9}, { 3.577678653530226*^9, 3.5776786628122425`*^9}, {3.57767878666086*^9, 3.5776787972532787`*^9}, {3.577687666855831*^9, 3.577687709365906*^9}, { 3.5777036868804045`*^9, 3.5777036870988045`*^9}, {3.577771101829991*^9, 3.5777711034523935`*^9}, {3.577771732835499*^9, 3.5777717348791027`*^9}, { 3.577775176276347*^9, 3.577775176494747*^9}, {3.577795838918239*^9, 3.5777958391678395`*^9}, {3.5778019220553236`*^9, 3.5778019563129835`*^9}, {3.577806042584161*^9, 3.5778060428025613`*^9}, { 3.5778842585374966`*^9, 3.5778843062891803`*^9}, {3.5778883935722055`*^9, 3.5778883937906065`*^9}, {3.577893410760618*^9, 3.5778934107918186`*^9}, { 3.5778966897147775`*^9, 3.577896689948778*^9}}], Cell[BoxData[ Graphics3DBox[{ {RGBColor[0., 0.7, 0.], SphereBox[{1.3146, 0, 0}, 0.1486]}, {RGBColor[0., 0.7, 0.], SphereBox[{-1.3146, 0, 0}, 0.1486]}, SphereBox[{0, 0, 0}, 1.166], {RGBColor[0.4, 1., 0.4], Opacity[0.5], SphereBox[{1.6851359442902236`, 1.0448430858214799`, 0}, 0.96]}, {RGBColor[0.4, 1., 0.4], Opacity[0.5], SphereBox[{1.6851359442902236`, -0.5224215429107399, 0.904860655289926}, 0.96]}, {RGBColor[0.4, 1., 0.4], Opacity[0.5], SphereBox[{1.6851359442902236`, -0.5224215429107399, -0.904860655289926}, 0.96]}, {RGBColor[0.4, 1., 0.4], Opacity[0.5], SphereBox[{-1.6851359442902236`, -1.0448430858214799`, 0}, 0.96]}, {RGBColor[0.4, 1., 0.4], Opacity[0.5], SphereBox[{-1.6851359442902236`, 0.5224215429107399, 0.904860655289926}, 0.96]}, {RGBColor[0.4, 1., 0.4], Opacity[0.5], SphereBox[{-1.6851359442902236`, 0.5224215429107399, -0.904860655289926}, 0.96]}}, AspectRatio->Automatic, Axes->True, AxesLabel->{ FormBox["xl", TraditionalForm], FormBox["yl", TraditionalForm], FormBox["zl", TraditionalForm]}, PlotRange->All, SphericalRegion->True]], "Output", CellChangeTimes->{3.5780642446309757`*^9}] }, Open ]], Cell[BoxData[ RowBox[{"(*", " ", RowBox[{ RowBox[{"projection", " ", "on", " ", "xy"}], "-", "plane"}], " ", "*)"}]], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773413317003937`*^9, 3.5773413362088013`*^9}, { 3.577352839115512*^9, 3.577352839131112*^9}, {3.5773715990175457`*^9, 3.5773716034635534`*^9}, {3.5773716711988726`*^9, 3.5773716785932856`*^9}, { 3.5773719148557005`*^9, 3.5773720320119066`*^9}, {3.5773720625879602`*^9, 3.577372089326407*^9}, {3.5773721384508934`*^9, 3.577372247229884*^9}, { 3.5773723618276854`*^9, 3.577372407098965*^9}, {3.577372640428575*^9, 3.57737267169103*^9}, {3.5773727054338894`*^9, 3.5773727803452206`*^9}, { 3.577372855490553*^9, 3.5773728739765854`*^9}, {3.5773729151762576`*^9, 3.577372935331493*^9}, {3.577373068493327*^9, 3.577373077494543*^9}, { 3.5774504640814247`*^9, 3.5774504745490427`*^9}}], Cell[CellGroupData[{ Cell[BoxData[ RowBox[{ RowBox[{ RowBox[{"plot3", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics", "[", RowBox[{"{", RowBox[{"Circle", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"xw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"yw", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"rr", "[", RowBox[{"[", "i", "]"}], "]"}]}], "]"}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "nc"}], "}"}]}], "]"}]}], " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", " ", ";", RowBox[{"Show", "[", RowBox[{"plot3", ",", RowBox[{"{", RowBox[{ RowBox[{"AspectRatio", " ", "\[Rule]", " ", "Automatic"}], ",", RowBox[{"Axes", " ", "->", " ", "True"}], ",", RowBox[{"GridLines", " ", "->", " ", "Automatic"}], ",", " ", RowBox[{"PlotRange", " ", "\[Rule]", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"-", "4"}], ",", "4"}], "}"}], ",", RowBox[{"{", RowBox[{ RowBox[{"-", "3"}], ",", "3"}], "}"}]}], "}"}]}], ",", " ", RowBox[{"Frame", " ", "->", " ", "True"}]}], "}"}]}], "]"}]}], "\[IndentingNewLine]"}]], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773413317003937`*^9, 3.5773413362088013`*^9}, { 3.577352839115512*^9, 3.577352839131112*^9}, {3.5773715990175457`*^9, 3.5773716034635534`*^9}, {3.5773716711988726`*^9, 3.5773716785932856`*^9}, {3.5773719148557005`*^9, 3.5773720320119066`*^9}, {3.5773720625879602`*^9, 3.577372089326407*^9}, { 3.5773721384508934`*^9, 3.577372247229884*^9}, {3.5773723618276854`*^9, 3.577372407098965*^9}, {3.577372640428575*^9, 3.57737267169103*^9}, { 3.5773727054338894`*^9, 3.5773727803452206`*^9}, {3.577372855490553*^9, 3.5773728739765854`*^9}, {3.5773729151762576`*^9, 3.577372935331493*^9}, { 3.577373068493327*^9, 3.577373077494543*^9}, 3.577375870741849*^9, { 3.5774428830877666`*^9, 3.577442884476169*^9}, {3.5774502155573883`*^9, 3.5774503400456066`*^9}, {3.5774503829300823`*^9, 3.5774503991853104`*^9}, 3.577678826113329*^9, {3.5776877166823187`*^9, 3.577687719771124*^9}, 3.5777036871144047`*^9, 3.5777751765103474`*^9, 3.5777958391678395`*^9, { 3.5778019656730003`*^9, 3.577801968293805*^9}, 3.577806042818161*^9, 3.577888393806206*^9, 3.5778934107918186`*^9, 3.577896689948778*^9}], Cell[BoxData[ GraphicsBox[{CircleBox[{1.3146, 0}, 0.1486], CircleBox[{-1.3146, 0}, 0.1486], CircleBox[{0, 0}, 1.166], CircleBox[{1.6851359442902236`, 1.0448430858214799`}, 0.96], CircleBox[{1.6851359442902236`, -0.5224215429107399}, 0.96], CircleBox[{1.6851359442902236`, -0.5224215429107399}, 0.96], CircleBox[{-1.6851359442902236`, -1.0448430858214799`}, 0.96], CircleBox[{-1.6851359442902236`, 0.5224215429107399}, 0.96], CircleBox[{-1.6851359442902236`, 0.5224215429107399}, 0.96]}, AspectRatio->Automatic, Axes->True, Frame->True, GridLines->Automatic, PlotRange->{{-4, 4}, {-3, 3}}]], "Output", CellChangeTimes->{3.578064244646576*^9}] }, Open ]], Cell[CellGroupData[{ Cell[BoxData[ RowBox[{ RowBox[{"(*", " ", RowBox[{ RowBox[{"projection", " ", "on", " ", "xz"}], "-", "plane"}], " ", "*)"}], "\[IndentingNewLine]", RowBox[{ RowBox[{ RowBox[{"plot4", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{"Graphics", "[", RowBox[{"{", RowBox[{"Circle", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"yw", "[", RowBox[{"[", "i", "]"}], "]"}], ",", RowBox[{"zw", "[", RowBox[{"[", "i", "]"}], "]"}]}], "}"}], ",", RowBox[{"rr", "[", RowBox[{"[", "i", "]"}], "]"}]}], "]"}], "}"}], "]"}], ",", RowBox[{"{", RowBox[{"i", ",", "1", ",", "6"}], "}"}]}], "]"}]}], " ", RowBox[{"(*", " ", RowBox[{"/.", " ", RowBox[{"t", "[", RowBox[{"[", "2", "]"}], "]"}]}], " ", "*)"}], " ", " ", ";"}], "\n", RowBox[{"Show", "[", RowBox[{"plot4", ",", RowBox[{"{", RowBox[{ RowBox[{"AspectRatio", " ", "\[Rule]", " ", "Automatic"}], ",", RowBox[{"Axes", " ", "->", " ", "True"}], ",", RowBox[{"GridLines", " ", "->", " ", "Automatic"}], ",", " ", RowBox[{"PlotRange", " ", "\[Rule]", " ", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"-", "4"}], ",", "4"}], "}"}], ",", RowBox[{"{", RowBox[{ RowBox[{"-", "3"}], ",", "3"}], "}"}]}], "}"}]}], ",", " ", RowBox[{"Frame", " ", "->", " ", "True"}]}], "}"}]}], "]"}]}]}]], "Input", PageWidth->WindowWidth, CellChangeTimes->{{3.5773413317003937`*^9, 3.5773413362088013`*^9}, { 3.577352839115512*^9, 3.577352839131112*^9}, {3.5773715990175457`*^9, 3.5773716034635534`*^9}, {3.5773716711988726`*^9, 3.5773716785932856`*^9}, {3.5773719148557005`*^9, 3.5773720320119066`*^9}, {3.5773720625879602`*^9, 3.577372089326407*^9}, { 3.5773721384508934`*^9, 3.577372247229884*^9}, {3.5773723618276854`*^9, 3.577372407098965*^9}, {3.577372640428575*^9, 3.57737267169103*^9}, { 3.5773727054338894`*^9, 3.5773727803452206`*^9}, {3.577372855490553*^9, 3.5773728739765854`*^9}, {3.5773729151762576`*^9, 3.577372935331493*^9}, { 3.577373068493327*^9, 3.577373077494543*^9}, 3.577375870741849*^9, { 3.5774428830877666`*^9, 3.577442884476169*^9}, {3.5774502155573883`*^9, 3.5774503400456066`*^9}, {3.5774503829300823`*^9, 3.5774503991853104`*^9}, 3.577450442132186*^9, {3.577450485905863*^9, 3.577450491911873*^9}, 3.5776788392953525`*^9, {3.577687724622732*^9, 3.57768772900634*^9}, 3.5777036871144047`*^9, 3.5777751765103474`*^9, 3.5777958391678395`*^9, { 3.577801978543023*^9, 3.5778019826146297`*^9}, 3.577806042818161*^9, 3.577888393806206*^9, 3.5778934107918186`*^9, 3.577896689964378*^9, 3.5778971958420663`*^9, 3.5778972409885454`*^9}], Cell[BoxData[ GraphicsBox[{CircleBox[{0, 0}, 0.1486], CircleBox[{0, 0}, 0.1486], CircleBox[{0, 0}, 1.166], CircleBox[{1.0448430858214799`, 0}, 0.96], CircleBox[{-0.5224215429107399, 0.904860655289926}, 0.96], CircleBox[{-0.5224215429107399, -0.904860655289926}, 0.96]}, AspectRatio->Automatic, Axes->True, Frame->True, GridLines->Automatic, PlotRange->{{-4, 4}, {-3, 3}}]], "Output", CellChangeTimes->{3.578064244662176*^9}] }, Open ]], Cell[BoxData[" "], "Input", CellChangeTimes->{3.577701861864399*^9}] }, WindowToolbars->"EditBar", WindowSize->{884, 861}, WindowMargins->{{96, Automatic}, {Automatic, 17}}, PrintingCopies->1, PrintingPageRange->{32000, 32000}, PrintingOptions->{"Magnification"->1., "PaperOrientation"->"Portrait", "PaperSize"->{595.2, 841.8}}, PrivateNotebookOptions->{"VersionedStylesheet"->{"Default.nb"[8.] -> False}}, FrontEndVersion->"9.0 for Microsoft Windows (64-bit) (January 25, 2013)", StyleDefinitions->"Default.nb" ] (* End of Notebook Content *) (* Internal cache information *) (*CellTagsOutline CellTagsIndex->{} *) (*CellTagsIndex CellTagsIndex->{} *) (*NotebookFileOutline Notebook[{ Cell[557, 20, 7045, 105, 172, "Input"], Cell[7605, 127, 20085, 399, 592, "Input"], Cell[27693, 528, 13614, 209, 152, "Input"], Cell[CellGroupData[{ Cell[41332, 741, 19429, 375, 452, "Input"], Cell[60764, 1118, 105, 2, 31, "Output"] }, Open ]], Cell[CellGroupData[{ Cell[60906, 1125, 3095, 61, 152, "Input"], Cell[64004, 1188, 90, 1, 31, "Output"], Cell[64097, 1191, 106, 2, 31, "Output"], Cell[64206, 1195, 87, 1, 31, "Output"], Cell[64296, 1198, 87, 1, 31, "Output"], Cell[64386, 1201, 88, 1, 31, "Output"], Cell[64477, 1204, 82, 1, 31, "Output"] }, Open ]], Cell[64574, 1208, 2424, 40, 31, "Input"], Cell[67001, 1250, 859, 15, 31, "Input"], Cell[CellGroupData[{ Cell[67885, 1269, 6930, 161, 312, "Input"], Cell[74818, 1432, 1227, 29, 368, "Output"] }, Open ]], Cell[76060, 1464, 885, 15, 31, "Input"], Cell[CellGroupData[{ Cell[76970, 1483, 2636, 58, 112, "Input"], Cell[79609, 1543, 681, 14, 293, "Output"] }, Open ]], Cell[CellGroupData[{ Cell[80327, 1562, 2918, 65, 92, "Input"], Cell[83248, 1629, 448, 10, 293, "Output"] }, Open ]], Cell[83711, 1642, 69, 1, 31, "Input"] } ] *) (* End of internal cache information *)