CLUSTER EXPANSION OF WAVEFUNCTION - OPEN-SHELL ORBITAL THEORY INCLUDING ELECTRON CORRELATION

被引：35

作者：

HIRAO, K ^{[1
]}

NAKATSUJI, H ^{[1
]}

机构：

[1] KYOTO UNIV,FAC ENGN,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 69卷 / 10期

关键词：

D O I：

10.1063/1.436452

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：4548 / 4563

页数：16

共 50 条

[1] CLUSTER EXPANSION OF WAVEFUNCTION - SYMMETRY-ADAPTED-CLUSTER EXPANSION, ITS VARIATIONAL DETERMINATION, AND EXTENSION OF OPEN-SHELL ORBITAL THEORY
NAKATSUJI, H
HIRAO, K
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05): : 2053 - 2065
[2] CLUSTER EXPANSION OF WAVEFUNCTION - PSEUDO-ORBITAL THEORY BASED ON SAC EXPANSION AND ITS APPLICATION TO SPIN-DENSITY OF OPEN-SHELL SYSTEMS
NAKATSUJI, H
HIRAO, K
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (09): : 4279 - 4291
[3] CLUSTER EXPANSION OF WAVEFUNCTION - STRUCTURE OF CLOSED-SHELL ORBITAL THEORY
HIRAO, K
NAKATSUJI, H
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10): : 4535 - 4547
[4] CLUSTER EXPANSION OF WAVEFUNCTION - PSEUDO-ORBITAL THEORY APPLIED TO SPIN CORRELATION
NAKATSUJI, H
HIRAO, K
CHEMICAL PHYSICS LETTERS, 1977, 47 (03) : 569 - 571
[5] USE OF CLUSTER-EXPANSION METHODS IN THE OPEN-SHELL CORRELATION-PROBLEM
MUKHERJEE, D
PAL, S
ADVANCES IN QUANTUM CHEMISTRY, 1989, 20 : 291 - 373
[6] OPEN-SHELL ORTHOGONAL MOLECULAR ORBITAL THEORY
HARRIS, FE
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (07): : 2769 - &
[7] OPEN-SHELL COUPLED-CLUSTER THEORY
JAYATILAKA, D
LEE, TJ
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (12): : 9734 - 9747
[8] 3-ELECTRON EXCITATION IN OPEN-SHELL COUPLED-CLUSTER THEORY
HAQUE, A
KALDOR, U
CHEMICAL PHYSICS LETTERS, 1985, 120 (03) : 261 - 265
[9] COMPLEX MOLECULAR-ORBITAL METHOD - OPEN-SHELL THEORY
HENDEKOVIC, J
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (06) : 1025 - 1035
[10] General spin adaptation of open-shell coupled cluster theory
Nooijen, M
Bartlett, RJ
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (07): : 2652 - 2668

← 1 2 3 4 5 →