CALCULATION OF THE ONE-ELECTRON COUPLING-COEFFICIENTS IN THE CONFIGURATION-INTERACTION METHOD

被引:12
作者
DUCH, W [1 ]
机构
[1] MAX PLANCK INST PHYS & ASTROPHYS, INST ASTROPHYS, D-8046 GARCHING, FED REP GER
关键词
D O I
10.1016/0009-2614(86)85050-3
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:442 / 446
页数:5
相关论文
共 13 条
[2]   GRAPHICAL REPRESENTATION OF SLATER DETERMINANTS [J].
DUCH, W .
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1985, 18 (17) :3283-3307
[3]   SYMMETRIC GROUP GRAPHICAL APPROACH TO THE DIRECT CONFIGURATION-INTERACTION METHOD [J].
DUCH, W ;
KARWOWSKI, J .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (04) :783-824
[4]  
DUCH W, UNPUB LECTURES NOTES
[5]  
DUCH W, 1985, COMPUT PHYS REP, V2, P92
[6]   A NEW DETERMINANT-BASED FULL CONFIGURATION-INTERACTION METHOD [J].
KNOWLES, PJ ;
HANDY, NC .
CHEMICAL PHYSICS LETTERS, 1984, 111 (4-5) :315-321
[7]   ON NUMBER OF CONFIGURATIONS IN AN N-ELECTRON SYSTEM [J].
MULDER, JJC .
MOLECULAR PHYSICS, 1966, 10 (05) :479-&
[8]   A COMPLETE ACTIVE SPACE SCF METHOD (CASSCF) USING A DENSITY-MATRIX FORMULATED SUPER-CI APPROACH [J].
ROOS, BO ;
TAYLOR, PR ;
SIEGBAHN, PEM .
CHEMICAL PHYSICS, 1980, 48 (02) :157-173
[9]   EFFICIENT METHODS FOR CONFIGURATION INTERACTION CALCULATIONS [J].
SEGAL, GA ;
WETMORE, RW ;
WOLF, K .
CHEMICAL PHYSICS, 1978, 30 (02) :269-297
[10]  
SHAVITT I, 1978, INT J QUANTUM CHEM, V12, P5