DETERMINANT BASED CONFIGURATION-INTERACTION ALGORITHMS FOR COMPLETE AND RESTRICTED CONFIGURATION-INTERACTION SPACES

被引:946
作者
OLSEN, J [1 ]
ROOS, BO [1 ]
JORGENSEN, P [1 ]
JENSEN, HJA [1 ]
机构
[1] AARHUS UNIV,DEPT CHEM,DK-8000 AARHUS C,DENMARK
关键词
D O I
10.1063/1.455063
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:2185 / 2192
页数:8
相关论文
共 11 条
[1]   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
[2]   ABINITIO CALCULATIONS ON C2, SI2, AND SIC [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (05) :2919-2924
[3]  
DUCH W, 1986, GRMS GRAPHICAL REPRE
[4]   MULTI-ROOT CONFIGURATION-INTERACTION CALCULATIONS [J].
HANDY, NC .
CHEMICAL PHYSICS LETTERS, 1980, 74 (02) :280-283
[5]   FULL CI CALCULATIONS ON BH, H2O, NH3 AND HF [J].
HARRISON, RJ ;
HANDY, NC .
CHEMICAL PHYSICS LETTERS, 1983, 95 (4-5) :386-391
[6]   A NEW DETERMINANT-BASED FULL CONFIGURATION-INTERACTION METHOD [J].
KNOWLES, PJ ;
HANDY, NC .
CHEMICAL PHYSICS LETTERS, 1984, 111 (4-5) :315-321
[7]  
LINDBERG J, 1973, PROPAGATORS QUANTUM, P24
[8]   NEW METHOD FOR LARGE-SCALE CI CALCULATIONS [J].
ROOS, B .
CHEMICAL PHYSICS LETTERS, 1972, 15 (02) :153-&
[9]  
Roos B.O., 1987, ADV CHEM PHYS AB INI, P399, DOI DOI 10.1002/9780470142943.CH7
[10]  
SHAVITT I, 1977, MODERN THEORETICAL C, V3, P189