4TH-ORDER MOLLER-PLESSETT PERTURBATION-THEORY IN THE LOCAL CORRELATION TREATMENT .1. METHOD

被引：424

作者：

SAEBO, S ^{[1
]}

PULAY, P ^{[1
]}

机构：

[1] UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 02期

关键词：

D O I：

10.1063/1.452293

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

页码：914 / 922

页数：9

共 63 条

[1] PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
AHLRICHS, R
LISCHKA, H
STAEMMLER, V
KUTZELNIGG, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) : 1225 - 1234
[2] MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS
AHLRICHS, R
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1979, 17 (1-2) : 31 - 45
[3] AHLRICHS R, 1982, 5TH P SEM COMP METH
[4] AHLRICHS R, 1981, MOL PHYSICS QUANTUM
[5] Interaction of the van der Waals type between three atoms
Axilrod, BM
Teller, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1943, 11 (06) : 299 - 300
[6] 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
[7] REDUCED PARTITIONING PROCEDURE IN CONFIGURATION INTERACTION STUDIES .1. GROUND-STATES
BARTLETT, RJ
BRANDAS, EJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) : 5467 - +
[8] COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O
BARTLETT, RJ
SHAVITT, I
[J]. CHEMICAL PHYSICS LETTERS, 1977, 50 (02) : 190 - 198
[9] 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
[10] Boys S. F., 1968, QUANTUM THEORY ATOMS, P253

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