AN EFFICIENT REFORMULATION OF THE CLOSED-SHELL SELF-CONSISTENT ELECTRON PAIR THEORY

被引：157

作者：

PULAY, P ^{[1
]}

SAEBO, S ^{[1
]}

MEYER, W ^{[1
]}

机构：

[1] UNIV KAISERSLAUTERN,FACHBEREICH CHEM,D-6750 KAISERSLAUTERN,FED REP GER

来源：

JOURNAL OF CHEMICAL PHYSICS | 1984年 / 81卷 / 04期

关键词：

D O I：

10.1063/1.447863

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：1901 / 1905

页数：5

相关论文

共 23 条

[1] MANY-BODY PERTURBATION CALCULATIONS AND COUPLED ELECTRON PAIR MODELS
AHLRICHS, R
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1979, 17 (1-2) : 31 - 45
[2] AHLRICHS R, 1981, MOL PHYSICS QUANTUM
[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] BOWEN RM, 1976, INTRO VECTORS TENSOR, V1
[5] AN EFFICIENT AND ACCURATE APPROXIMATION TO DOUBLE SUBSTITUTION COUPLED CLUSTER WAVEFUNCTIONS
CHILES, RA
DYKSTRA, CE
[J]. CHEMICAL PHYSICS LETTERS, 1981, 80 (01) : 69 - 72
[6] AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS
CHILES, RA
DYKSTRA, CE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) : 4544 - 4556
[7] CIZEK J, 1966, J CHEM PHYS, V45, P4256
[8] THEORY OF SELF-CONSISTENT ELECTRON PAIRS - COMPUTATIONAL METHODS AND PRELIMINARY APPLICATIONS
DYKSTRA, CE
SCHAEFER, HF
MEYER, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (07) : 2740 - 2750
[9] RECENT COMPUTATIONAL DEVELOPMENTS WITH THE SELF-CONSISTENT ELECTRON PAIRS METHOD AND APPLICATION TO THE STABILITY OF GLYCINE CONFORMERS
DYKSTRA, CE
CHILES, RA
GARRETT, MD
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (03) : 266 - 272
[10] HURLEY AC, 1976, ELECTRON CORRELATION