{"entities":{"Q2616355":{"pageid":2627098,"ns":120,"title":"Item:Q2616355","lastrevid":44489304,"modified":"2025-11-23T07:46:27Z","type":"item","id":"Q2616355","labels":{"en":{"language":"en","value":"On the numerical solution of generalized equations of the self-consistent field."}},"descriptions":{"en":{"language":"en","value":"scientific article; zbMATH DE number 2536850"}},"aliases":{},"claims":{"P31":[{"mainsnak":{"snaktype":"value","property":"P31","hash":"fd5912e4dab4b881a8eb0eb27e7893fef55176ad","datavalue":{"value":{"entity-type":"item","numeric-id":56887,"id":"Q56887"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q2616355$A66EFCE1-7AD3-45BC-8221-7A82110706EB","rank":"normal"}],"P159":[{"mainsnak":{"snaktype":"value","property":"P159","hash":"89bbe5457e45dd0447a2b982de14702f139aff8a","datavalue":{"value":{"text":"On the numerical solution of generalized equations of the self-consistent field.","language":"en"},"type":"monolingualtext"},"datatype":"monolingualtext"},"type":"statement","id":"Q2616355$2F36045D-3FE1-426E-A663-E48326831CAB","rank":"normal"}],"P225":[{"mainsnak":{"snaktype":"value","property":"P225","hash":"ab6d152dbb81eb49907069d9c5ebc34823531388","datavalue":{"value":"61.1573.05","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q2616355$6FC0B81B-1668-42B7-9699-8639964885EF","rank":"normal"}],"P16":[{"mainsnak":{"snaktype":"value","property":"P16","hash":"2a175c0d6ecad640835ec120b6d69f4123bd025f","datavalue":{"value":{"entity-type":"item","numeric-id":2610990,"id":"Q2610990"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q2616355$8FC12DB5-ED19-4ACE-B864-604E43747507","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"a14c72342d3595a7cd227e3b5608ccbee6de542f","datavalue":{"value":{"entity-type":"item","numeric-id":561044,"id":"Q561044"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q2616355$23DFA344-2B59-492C-A85D-4D0E310B1318","rank":"normal"}],"P200":[{"mainsnak":{"snaktype":"value","property":"P200","hash":"09f47ce33c3b8b133016645dbf9b91682ad94482","datavalue":{"value":{"entity-type":"item","numeric-id":560854,"id":"Q560854"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q2616355$38CA2747-E49C-455B-B4D5-30D6AD0A1481","rank":"normal"}],"P28":[{"mainsnak":{"snaktype":"value","property":"P28","hash":"0545e869d8296a0b0654ccbe2e3181b7f2652da8","datavalue":{"value":{"time":"+1934-00-00T00:00:00Z","timezone":0,"before":0,"after":0,"precision":9,"calendarmodel":"http://www.wikidata.org/entity/Q1985727"},"type":"time"},"datatype":"time"},"type":"statement","id":"Q2616355$660817C8-1447-42EA-A206-D734F1DC2E67","rank":"normal"}],"P1448":[{"mainsnak":{"snaktype":"value","property":"P1448","hash":"03179a1ca3d918f4d19dbe32f8c3eae26254b2f8","datavalue":{"value":"Es wird eine Methode zur numerischen Behandlung der von \\textit{Fock} verallgemeinerten \\textit{Hartree}schen Theorie des mehrelektronigen Atoms angegeben. Besteht das Atom aus \\(q\\) abgeschlossenen Elektronenschalen und einem Serienelektron, so wird f\u00fcr die Wellenfunktion eines Elektrons geschrieben  \\[  \\psi = \\dfrac{1}{r}f_i(r)Y_{l_i}(\\vartheta, \\varphi)  \\]  (\\(r = \\) Kernabstand, \\(Y = \\) Kugelfunktion), wobei  \\[  \\int\\limits_0^\\infty [f_i(r)]^2 dr = 1 \\;\\text{ und } \\int\\limits_0^\\infty f_i(r)f_k(r) dr = 0 \\qquad (i\\neq k, l_i=l_k).  \\]  gilt. Die Kernelektronen-Wellenfunktionen \\(f_i(r)\\) (\\(r = 1, 2,\\ldots, q\\)) gen\u00fcgen den Integrodifferentialgleichungen  \\[  -C_i\\dfrac{d^2f_i}{dr^2} + Q_{ii}(r)f_i = \\lambda_if_i \\sum\\limits_{_{\\substack{ k \\\\ (k\\neq i)}}} Q_{ik}(r)f_k \\qquad (i=1,2,\\ldots,q), \\tag{1}  \\]  wobei die \\(C_i\\) positive Konstanten und die \\(Q_{ik}(r)\\) lineare Ausdr\u00fccke der Gr\u00f6\u00dfen  \\[  F_l^{ik}(r) = \\dfrac{1}{2l+1}\\left\\{\\dfrac{1}{r^{l+1}} \\int\\limits_0^r f_i(r')f_k(r') r^{'l}dr' + r^l\\int\\limits_r^\\infty f_i(r')f_k(r')\\dfrac{dr'}{r^{'l+1}}\\right\\}  \\]  sind. Die Wellengleichung f\u00fcr das Serienelektron lautet  \\[  -\\dfrac{1}{2}\\dfrac{d^2f}{dr^2} + \\left[\\dfrac{l(l+1)}{2r^2} \\dfrac{Z}{r} + V(r)\\right] f = \\lambda f - \\sum\\limits_{k=1}^q Q_k(r) f_k(r), \\tag{2}  \\]  wobei \\(f = f_{q+1}\\) und \\(Q_k = Q_{k,q+1}\\) gesetzt ist. \\(l\\) ist die Quantenzahl des Elektrons und \\(V(r)\\) das Potential des abgeschirmten Kerns. Der Energieterm des Elektrons wird durch \\(\\lambda\\) gegeben. Zur numerischen Behandlung der Gleichungen (1) und (2) wird das Verfahren der sukzessiven Approximationen benutzt, wobei z. B. die Systeme (1) durch inhomogene Gleichungen der Gestalt  \\[  -C_i\\dfrac{d^2f_i}{dr^2} + Q^*_{ii}(r)f_i - \\lambda_i^0f_i = \\omega_i(r) \\qquad (\\omega_i(r) \\;\\text{ bekannt })  \\]  in separierter Gestalt ersetzt werden, deren Integration unter Benutzung der zugeh\u00f6rigen homogenen Gleichungen durch Konstruktion einer geeigneten \\textit{Green}schen Funktion gelingt.  Es finden sich weiter Bemerkungen \u00fcber die Herstellung geeigneter erster Approximationen. Konvergenzfragen werden nicht direkt er\u00f6rtert, daf\u00fcr findet man einige Bemerkungen \u00fcber die ``Stabilit\u00e4t'' von N\u00e4herungsl\u00f6sungen. F\u00fcr das Na-Atom werden numerische Ergebnisse angegeben.","type":"string"},"datatype":"string"},"type":"statement","id":"Q2616355$4E62D4D6-07C3-4E6E-9998-633565C0A4AB","rank":"normal"}],"P1451":[{"mainsnak":{"snaktype":"value","property":"P1451","hash":"fa6b37d16e510706ac36024f0a5a052b6e3391dd","datavalue":{"value":"2536850","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q2616355$332B3191-36CB-472B-A8EF-3F272FB015F8","rank":"normal"}],"P1460":[{"mainsnak":{"snaktype":"value","property":"P1460","hash":"57f7fea50d2ce1b39b695c4a1313582eed405e38","datavalue":{"value":{"entity-type":"item","numeric-id":5976449,"id":"Q5976449"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q2616355$39D97069-6EEF-4B12-AE05-EACAFD9E17FC","rank":"normal"}]},"sitelinks":{"mardi":{"site":"mardi","title":"Publication:2616355","badges":[],"url":"https://portal.mardi4nfdi.de/wiki/Publication:2616355"}}}}}