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

收藏

页码：4548 / 4563

页数：16

相关论文

共 41 条

[1] SINGLE DETERMINANT WAVE FUNCTIONS
AMOS, AT
HALL, GG
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) : 483 - +
[2] UNRESTRICTED HARTREE-FOCK CALCULATIONS .I. IMPROVED METHOD OF COMPUTING SPIN PROPERTIES
AMOS, T
SNYDER, LC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (06) : 1773 - &
[3] STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .5. NONANALYTIC BEHAVIOR OF BROKEN-SYMMETRY SOLUTIONS AT BRANCHING POINT
CIZEK, J
PALDUS, J
[J]. PHYSICAL REVIEW A, 1971, 3 (02): : 525 - &
[4] CIZEK J, 1970, J CHEM PHYS, V53, P821, DOI 10.1063/1.1674065
[5] CIZEK J, 1967, J CHEM PHYS, V47, P3976
[6] SPIN DENSITY WAVE AND CHARGE TRANSFER WAVE IN LONG CONJUGATED MOLECULES
FUKUTOME, H
[J]. PROGRESS OF THEORETICAL PHYSICS, 1968, 40 (06): : 1227 - &
[7] SPIN DENSITY WAVE AND CHARGE TRANSFER WAVE IN LONG CONJUGATED MOLECULES
FUKUTOME, H
[J]. PROGRESS OF THEORETICAL PHYSICS, 1968, 40 (05): : 998 - &
[8] IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS .3. GF METHOD
GODDARD, WA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) : 450 - &
[9] METHOD OF COMPLEX MOLECULAR-ORBITALS
HENDEKOVIC, J
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (05) : 799 - 815
[10] COMPLEX MOLECULAR-ORBITAL METHOD - OPEN-SHELL THEORY
HENDEKOVIC, J
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (06) : 1025 - 1035

← 1 2 3 4 5 →