On the Hartree-Fock problem

被引：28

作者：

Musher, J. I. ^{[1
]}

机构：

[1] Yeshiva Univ, Belfer Grad Sch Sci, New York, NY 10033 USA

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 7卷 / 04期

关键词：

D O I：

10.1016/0009-2614(70)80318-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The Hartree-Fock problem is investigated by examining the symmetry properties of the SCF spin-orbitals. These can be classified as closed-shell, open-shell or general spin-orbitals according to the commutation rules satisfied by their one-electron SCF hamiltonians. The effect of symmetry-breaking in spin, angular momentum and space-group symmetry is considered schematically and the physical implications of such symmetry-breaking are discussed.

引用

页码：397 / 403

页数：7

共 28 条

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[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (02) : 502 - &
[8] SELF-CONSISTENT THEORY OF BOND ALTERNATION IN POLYENES - NORMAL STATE, CHARGE-DENSITY WAVES, AND SPIN-DENSITY WAVES
HARRIS, RA
FALICOV, LM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (11) : 5034 - &
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