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Splitting of the Configuration Interaction Space Xn into Two Complementary Subspaces

T. P. Živković ; Rudjer Boskovic Institute, POB 1016, 41001 Zagreb, Yugoslavia

Puni tekst: engleski, pdf (11 MB) str. 367-389 preuzimanja: 74* citiraj
APA 6th Edition
Živković, T.P. (1984). Splitting of the Configuration Interaction Space Xn into Two Complementary Subspaces. Croatica Chemica Acta, 57 (3), 367-389. Preuzeto s https://hrcak.srce.hr/194152
MLA 8th Edition
Živković, T. P.. "Splitting of the Configuration Interaction Space Xn into Two Complementary Subspaces." Croatica Chemica Acta, vol. 57, br. 3, 1984, str. 367-389. https://hrcak.srce.hr/194152. Citirano 08.03.2021.
Chicago 17th Edition
Živković, T. P.. "Splitting of the Configuration Interaction Space Xn into Two Complementary Subspaces." Croatica Chemica Acta 57, br. 3 (1984): 367-389. https://hrcak.srce.hr/194152
Harvard
Živković, T.P. (1984). 'Splitting of the Configuration Interaction Space Xn into Two Complementary Subspaces', Croatica Chemica Acta, 57(3), str. 367-389. Preuzeto s: https://hrcak.srce.hr/194152 (Datum pristupa: 08.03.2021.)
Vancouver
Živković TP. Splitting of the Configuration Interaction Space Xn into Two Complementary Subspaces. Croatica Chemica Acta [Internet]. 1984 [pristupljeno 08.03.2021.];57(3):367-389. Dostupno na: https://hrcak.srce.hr/194152
IEEE
T.P. Živković, "Splitting of the Configuration Interaction Space Xn into Two Complementary Subspaces", Croatica Chemica Acta, vol.57, br. 3, str. 367-389, 1984. [Online]. Dostupno na: https://hrcak.srce.hr/194152. [Citirano: 08.03.2021.]

Sažetak
The confi.g:uration interaction space Xn generated by n
particles moving over 2n orbitals is considered. The formalism
of the molecular orbital resonance theoil:y {MORT) a,pproach
is used. H is shown tha.t the space Xn can be split into SIUJbspaces
Xn+ and Xn- so that »e1ementary« one-particle opera.tors connect
either the stJartes contained in ithe same subspace, oil: they conn:ec.t
the sitates contained in different subsipaces. In pa·rticular, each
state qt+ E Xn+ atlld each state qt- E Xn- has a uni:form charge
density distribution over all 2n oirbitals, and vanishing bond
orders between orbi1tals of the same parity. As a sirrn,ple consequence
the pairing theorem results. To be »alternant-liike« .is thus
shown to be the property of whole spaces Xn + atlld Xn- , rather
ithan the property 01f paxticulair eigenstates. The coinnectiioin wilth

Hrčak ID: 194152

URI
https://hrcak.srce.hr/194152

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