THE SELF-CONSISTENT ELECTRON PAIRS METHOD FOR MULTICONFIGURATION REFERENCE STATE FUNCTIONS

被引：336

作者：

WERNER, HJ

REINSCH, EA

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 76卷 / 06期

关键词：

D O I：

10.1063/1.443357

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：3144 / 3156

页数：13

相关论文

共 74 条

[11] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
BUENKER, RJ
PEYERIMHOFF, SD
BUTSCHER, W
[J]. MOLECULAR PHYSICS, 1978, 35 (03) : 771 - 791
[12] ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C
BUNGE, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) : 20 - &
[13] AB-INITIO STUDY OF X2-PI AND A2-SIGMA+ STATES OF OH .1. POTENTIAL CURVES AND PROPERTIES
CHU, SI
YOSHIMINE, M
LIU, B
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) : 5389 - 5395
[14] NEGATIVE-ION SPECTROSCOPY
CORDERMAN, RR
LINEBERGER, WC
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1979, 30 : 347 - 378
[15] ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES
DAVIDSON, ER
[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 17 (01) : 87 - 94
[16] THE DIRECT CONFIGURATION INTERACTION METHOD FOR GENERAL MULTI-REFERENCE EXPANSIONS - SYMMETRIC GROUP-APPROACH
DUCH, W
[J]. THEORETICA CHIMICA ACTA, 1980, 57 (04): : 299 - 313
[17] COUPLING-CONSTANTS IN THE DIRECT CONFIGURATION INTERACTION METHOD
DUCH, W
KARWOWSKI, J
[J]. THEORETICA CHIMICA ACTA, 1979, 51 (03): : 175 - 188
[18] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[19] PERFECT PAIRING VALENCE BOND GENERALIZATION OF SELF-CONSISTENT ELECTRON PAIR THEORY
DYKSTRA, CE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (05) : 2928 - 2935
[20] SELF-CONSISTENT ELECTRON PAIR THEORY FOR CERTAIN TYPES OF OPEN-SHELL WAVEFUNCTIONS
DYKSTRA, CE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (10) : 4716 - 4718

← 1 2 3 4 5 6 7 8 →