CLUSTER-EXPANSION OF THE WAVE-FUNCTION

被引:5
作者
HIRAO, K
机构
来源
THEORETICA CHIMICA ACTA | 1987年 / 71卷 / 2-3期
关键词
D O I
10.1007/BF00526418
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:231 / 236
页数:6
相关论文
共 27 条
[1]  
ADNAN SSZ, 1982, CHEM PHYS LETT, V85, P204, DOI 10.1016/0009-2614(82)80333-3
[2]  
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[3]   A FULL CI TREATMENT OF NE ATOM - A BENCHMARK CALCULATION PERFORMED ON THE NAS CRAY 2 [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR ;
TAYLOR, PR ;
PARTRIDGE, H .
CHEMICAL PHYSICS LETTERS, 1986, 126 (05) :436-440
[4]   BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON H2O, F, AND F- [J].
BAUSCHLICHER, CW ;
TAYLOR, PR .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) :2779-2783
[5]  
BAUSCHLICHER CW, 1986, IN PRESS J CHEM PHYS
[6]  
CIZEK J, 1966, J CHEM PHYS, V45, P4256
[7]  
CIZEK J, 1971, INT J QUANTUM CHEM, V5, P357
[8]   APPLICATION OF CLUSTER-EXPANSION TECHNIQUES TO OPEN-SHELLS - CALCULATION OF DIFFERENCE ENERGIES [J].
HAQUE, MA ;
MUKHERJEE, D .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (10) :5058-5069
[9]   FULL CI CALCULATIONS ON BH, H2O, NH3 AND HF [J].
HARRISON, RJ ;
HANDY, NC .
CHEMICAL PHYSICS LETTERS, 1983, 95 (4-5) :386-391
[10]   CLUSTER EXPANSION OF WAVEFUNCTION - OPEN-SHELL ORBITAL THEORY INCLUDING ELECTRON CORRELATION [J].
HIRAO, K ;
NAKATSUJI, H .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) :4548-4563