BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON HF AND NH2

被引:172
作者
BAUSCHLICHER, CW
LANGHOFF, SR
TAYLOR, PR
HANDY, NC
KNOWLES, PJ
机构
[1] UNIV CAMBRIDGE,CHEM LAB,CAMBRIDGE,ENGLAND
[2] UNIV WESTERN ONTARIO,DEPT CHEM,LONDON N6A 5B7,ONTARIO,CANADA
[3] ELORET INST,SUNNYVALE,CA 94087
关键词
D O I
10.1063/1.451238
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:1469 / 1474
页数:6
相关论文
共 15 条
[1]   THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J].
AHLRICHS, R ;
SCHARF, P ;
EHRHARDT, C .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) :890-898
[2]  
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[3]  
BAUSCHLICHER CW, CHEM PHYS LETT
[4]   A MODIFIED COUPLED PAIR FUNCTIONAL-APPROACH [J].
CHONG, DP ;
LANGHOFF, SR .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) :5606-5610
[6]  
HARRISON RJ, 1983, CHEM PHYS LETT, V96, P386
[7]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[8]   A NEW DETERMINANT-BASED FULL CONFIGURATION-INTERACTION METHOD [J].
KNOWLES, PJ ;
HANDY, NC .
CHEMICAL PHYSICS LETTERS, 1984, 111 (4-5) :315-321
[9]   A MULTI-REFERENCE COUPLED-CLUSTER METHOD FOR MOLECULAR APPLICATIONS [J].
LAIDIG, WD ;
BARTLETT, RJ .
CHEMICAL PHYSICS LETTERS, 1984, 104 (05) :424-430
[10]   CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J].
LANGHOFF, SR ;
DAVIDSON, ER .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :61-72