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The continuity dilemma and hartree-fock instabilities

✍ Scribed by N. Moiseyev; J. Katriel

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 403 KB
Volume: 29
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)80136-3

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✦ Synopsis

The stability criteria of the Hartree-Fock wavefunctions YC implemented in the context of the Raothaan-Ha&e-e-Fock procedure. Use is made of modified SCF equations, in which the total enera, rather than orbital energies, appezxs. The procedure is applied to the 2 'S state of helium.

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