CLUSTER EXPANSION OF WAVEFUNCTION - SYMMETRY-ADAPTED-CLUSTER EXPANSION, ITS VARIATIONAL DETERMINATION, AND EXTENSION OF OPEN-SHELL ORBITAL THEORY

被引:635
作者
NAKATSUJI, H [1 ]
HIRAO, K [1 ]
机构
[1] SHIGA UNIV MED SCI,DEPT CHEM,OTSU,JAPAN
关键词
D O I
10.1063/1.436028
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:2053 / 2065
页数:13
相关论文
共 65 条
[1]   UNRESTRICTED HARTREE-FOCK CALCULATIONS .I. IMPROVED METHOD OF COMPUTING SPIN PROPERTIES [J].
AMOS, T ;
SNYDER, LC .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (06) :1773-&
[2]  
[Anonymous], STAT MECH
[3]  
Cizek J., 1971, International Journal of Quantum Chemistry, V5, P359, DOI 10.1002/qua.560050402
[4]  
CIZEK J, 1966, J CHEM PHYS, V45, P4256
[5]  
CIZEK J, 1967, J CHEM PHYS, V47, P3976
[6]  
COSTER F, 1960, NUCL PHYS, V17, P477
[7]  
COSTER F, 1958, NUCL PHYS, V7, P421
[8]   SPIN-RESTRICTED OPEN-SHELL SELF-CONSISTENT-FIELD THEORY [J].
DAVIDSON, ER .
CHEMICAL PHYSICS LETTERS, 1973, 21 (03) :565-567
[9]   SPIN DENSITY WAVE AND CHARGE TRANSFER WAVE IN LONG CONJUGATED MOLECULES [J].
FUKUTOME, H .
PROGRESS OF THEORETICAL PHYSICS, 1968, 40 (06) :1227-&
[10]   THEORY OF UNRESTRICTED HARTREE-FOCK EQUATION AND ITS SOLUTIONS .1. [J].
FUKUTOME, H .
PROGRESS OF THEORETICAL PHYSICS, 1971, 45 (05) :1382-&