COMPUTATIONAL METHOD OF PERFORMING MC SCF CALCULATIONS USING BONDED FUNCTIONS

被引:29
作者
KENDRICK, J [1 ]
HILLIER, IH [1 ]
机构
[1] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,ENGLAND
关键词
D O I
10.1016/0009-2614(76)80811-1
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:283 / 286
页数:4
相关论文
共 19 条
[12]  
SAUNDERS VR, 4 P SRC ATLAS S, P119
[13]   ELECTRONIC-STRUCTURE OF FEH [J].
SCOTT, PR ;
RICHARDS, WG .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (04) :1690-1691
[14]   MATRIX ELEMENTS BETWEEN BONDED FUNCTIONS [J].
SUTCLIFFE, BT .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (01) :235-+
[15]  
VARGA RS, 1962, MATRIX ITERATIVE ANA, P56
[16]  
WACHTERS AJH, 1969, RJ584 IBM RES REP
[17]   CONVERGENCE GUARANTEES FOR MULTI-CONFIGURATION SELF-CONSISTENT FIELD-THEORY [J].
WOOD, MH ;
VEILLARD, A .
MOLECULAR PHYSICS, 1973, 26 (03) :595-603
[18]   CONSTRUCTION OF HAMILTONIAN MATRIX IN LARGE CONFIGURATION INTERACTION CALCULATIONS [J].
YOSHIMINE, M .
JOURNAL OF COMPUTATIONAL PHYSICS, 1973, 11 (03) :449-454
[19]  
YOSHIMINE M, 1969, RJ555 IBM CORP TECHN