APPLICATION OF PERTURBATION-THEORY IN LARGE CONFIGURATION INTERACTION CALCULATIONS

被引:12
作者
FORTUNE, PJ [1 ]
ROSENBERG, BJ [1 ]
机构
[1] ARGONNE NATL LAB,CHEM DIV,ARGONNE,IL 60439
关键词
D O I
10.1016/0009-2614(76)80172-8
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:110 / 114
页数:5
相关论文
共 9 条
[1]   ELECTRONIC WAVE FUNCTIONS .9. CALCULATIONS FOR THE 3 LOWEST STATES OF THE BERYLLIUM ATOM [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1953, 217 (1128) :136-150
[2]  
BROWN RE, 1967, THESIS INDIANA U
[3]   ELECTRONIC WAVE FUNCTIONS FOR ATOMS .I. GROUND STATE OF BE [J].
BUNGE, CF .
PHYSICAL REVIEW, 1968, 168 (01) :92-&
[4]  
Gershgorn Z., 1968, INT J QUANTUM CHEM, V2, P751
[5]  
HIRSCHFELDER JO, 1964, ADV QUANTUM CHEM, V1, P155
[6]   THEORETICAL STUDY OF CURVE CROSSING - AB-INITIO CALCULATIONS ON 4 LOWEST 1SIGMA+ STATES OF LIF [J].
KAHN, LR ;
HAY, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (09) :3530-3546
[7]   EFFICIENT METHOD FOR LARGE-SCALE CONFIGURATION INTERACTION CALCULATIONS [J].
SEGAL, GA ;
WETMORE, RW .
CHEMICAL PHYSICS LETTERS, 1975, 32 (03) :556-560
[8]   ITERATIVE CALCULATION OF SEVERAL OF LOWEST OR HIGHEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF VERY LARGE SYMMETRIC MATRICES [J].
SHAVITT, I ;
BENDER, CF ;
PIPANO, A ;
HOSTENY, RP .
JOURNAL OF COMPUTATIONAL PHYSICS, 1973, 11 (01) :90-108
[9]  
SHAVITT I, QCPE172 EIGEN IND U