Orbital transformation and perturbation theory

被引：4

作者：

Amos, A. T.

Musher, J. I.

Roberts, H. G. Ff.

机构：

[1] Univ Nottingham, Dept Math, Nottingham NG7 2RD, England

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

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 4卷 / 02期

关键词：

D O I：

10.1016/0009-2614(69)85078-5

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 first order perturbative correction to a single determinant wave function is shown to be invariant in form to a unitary transformation of the molecular orbitals both for the case of (a) electron correlation treated as a perturbation and (b) external perturbations. The implications of this are briefly discussed.

引用

页码：93 / 96

页数：4

共 12 条

[1] A COMMENT ON APPLICATION OF HARTREE-FOCK PERTURBATION THEORY TO PI-ELECTRON SYSTEMS
AMOS, AT
MUSHER, JI
[J]. MOLECULAR PHYSICS, 1967, 13 (06) : 509 - &
[2] Unitary transformations and pair energies
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Davidson, E. R.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (01) : 33 - 34
[3] LOCALIZED ATOMIC AND MOLECULAR ORBITALS
EDMISTON, C
RUEDENBERG, K
[J]. REVIEWS OF MODERN PHYSICS, 1963, 35 (03) : 457 - &
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[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 202 (1069): : 155 - 165
[5] Hall Gwen, COMMUNICATION
[6] THEORY OF WEAK ATOMIC AND MOLECULAR INTERACTIONS
MUSHER, JI
AMOS, AT
[J]. PHYSICAL REVIEW, 1967, 164 (01): : 31 - &
[7] PERTURBATION-THEORETIC APPROACH TO ATOMS AND MOLECULES
MUSHER, JI
SCHULMAN, JM
[J]. PHYSICAL REVIEW, 1968, 173 (01): : 93 - &
[8] HARTREE-FOCK THEORY OF ATOMIC PROPERTIES
MUSHER, JI
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (01) : 369 - &
[9] MANY-ELECTRON THEORY OF ATOMS, MOLECULES AND THEIR INTERACTIONS
SINANOGLU, O
[J]. ADVANCES IN CHEMICAL PHYSICS, 1964, 6 : 315 - 412
[10] MANY-ELECTRON THEORY OF ATOMS AND MOLECULES .2.
SINANOGLU, O
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (12) : 3198 - +

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