CONFIGURATION-INTERACTION METHOD - THE PAST AND FUTURE PERSPECTIVES

被引:0
作者
DUCH, W
机构
来源
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1991年 / 80卷
关键词
D O I
暂无
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
This paper reviews the methodological aspects of the configuration interaction methods from a pedestrian perspective. Basic concepts are presented from a practical point of view. State of the art and future trends are briefly discussed.
引用
收藏
页码:27 / 49
页数:23
相关论文
共 175 条
[2]   OPTIMIZED VIRTUAL ORBITAL SPACE FOR HIGH-LEVEL CORRELATED CALCULATIONS .2. ELECTRIC PROPERTIES [J].
ADAMOWICZ, L ;
BARTLETT, RJ ;
SADLEJ, AJ .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (09) :5749-5758
[3]   OPTIMIZED VIRTUAL ORBITAL SPACE FOR HIGH-LEVEL CORRELATED CALCULATIONS [J].
ADAMOWICZ, L ;
BARTLETT, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (11) :6314-6324
[4]   DIRECT DETERMINATION OF PAIR NATURAL ORBITALS - NEW METHOD TO SOLVE MULTI-CONFIGURATION HARTREE-FOCK PROBLEM FOR 2-ELECTRON WAVE-FUNCTIONS [J].
AHLRICHS, R ;
DRIESSLER, F .
THEORETICA CHIMICA ACTA, 1975, 36 (04) :275-287
[5]   THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR AB-INITIO RESULTS .2. THE GROUND-STATES OF CO, N-2 NO, O-2, AND F2 [J].
AHLRICHS, R ;
SCHARF, P ;
JANKOWSKI, K .
CHEMICAL PHYSICS, 1985, 98 (03) :381-386
[6]   GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J].
ALMLOF, J ;
TAYLOR, PR .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) :4070-4077
[7]  
BARTLETT RJ, 1978, INT J QUANTUM CHEM, V12, P543
[8]  
BARTLETT RJ, 1977, INT J QUANTUM CHEM, P165
[10]   SYMMETRY AND EQUIVALENCE RESTRICTIONS IN ELECTRONIC-STRUCTURE CALCULATIONS [J].
BAUSCHLICHER, CW ;
TAYLOR, PR .
THEORETICA CHIMICA ACTA, 1988, 74 (01) :63-73