SCF AND LOCALIZED ORBITALS IN ETHYLENE - MBPT CC RESULTS AND COMPARISON WITH ONE-MILLION CONFIGURATION CI

被引：71

作者：

LAIDIG, WD

PURVIS, GD

BARTLETT, RJ

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 97卷 / 02期

关键词：

D O I：

10.1016/0009-2614(83)85018-0

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：

引用

收藏

页码：209 / 214

页数：6

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共 24 条

[1] BARTLETT RJ, 1978, INT J QUANTUM CHEM, V12, P543
[2] MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 : 359 - 401
[3] MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM
BARTLETT, RJ
PURVIS, GD
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) : 561 - 581
[4] BARTLETT RJ, 1979, J CHEM PHYS, V71, P281, DOI 10.1063/1.438069
[5] BARTLETT RJ, UNPUB
[6] BARTLETT RJ, 1977, INT J QUANTUM CHEM S, V11, P165
[7] LOCALIZED BOND MODEL FOR MOLECULAR-ENERGY TO 4TH ORDER IN PERTURBATION-THEORY
CULLEN, JM
ZERNER, MC
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (03) : 497 - 535
[8] Davidson E.R., 1974, WORLD QUANTUM CHEM
[9] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .I. PERTURBATION CALCULATION OF GROUND STATE ENERGY
DINER, S
MALRIEU, JP
CLAVERIE, P
[J]. THEORETICA CHIMICA ACTA, 1969, 13 (01): : 1 - &
[10] Fully localized bond orbitals and the correlation problem
Diner, S.
Malrieu, J. P.
Claverie, P.
Jordan, F.
[J]. CHEMICAL PHYSICS LETTERS, 1968, 2 (05) : 319 - 323