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

来源：

CHEMICAL PHYSICS LETTERS | 1976年 / 37卷 / 01期

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

页码：110 / 114

页数：5

共 50 条

[1] APPLICATION OF PERTURBATION-THEORY TO LIMITATION OF EXTENT OF CONFIGURATION INTERACTION
FRATEV, F
HIEBAUM, G
GOCHEV, A
CHEMICAL PHYSICS LETTERS, 1972, 16 (02) : 349 - &
[2] PARTIAL TRANSFORMATION FOR APPLICATION TO PERTURBATION-THEORY CONFIGURATION INTERACTION
PENDERGAST, P
HAYES, EF
JOURNAL OF COMPUTATIONAL PHYSICS, 1978, 26 (02) : 236 - 242
[3] PERTURBATION-THEORY CALCULATIONS OF INTERMOLECULAR INTERACTION ENERGIES
SZALEWICZ, K
JEZIORSKI, B
RYBAK, S
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1991, 40 : 23 - 36
[4] GROUP THEORETICAL APPROACH TO CONFIGURATION INTERACTION AND PERTURBATION-THEORY CALCULATIONS FOR ATOMIC AND MOLECULAR SYSTEMS
PALDUS, J
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12): : 5321 - 5330
[5] APPLICATION OF SCF PERTURBATION-THEORY TO MOLECULAR CALCULATIONS
SANTRY, DP
THEORETICA CHIMICA ACTA, 1976, 42 (01): : 67 - 75
[6] VARIATIONAL CONFIGURATION INTERACTION METHODS AND COMPARISON WITH PERTURBATION-THEORY
POPLE, JA
SEEGER, R
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INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, : 149 - 163
[7] APPROXIMATING FULL CONFIGURATION-INTERACTION WITH SELECTED CONFIGURATION-INTERACTION AND PERTURBATION-THEORY
HARRISON, RJ
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (07): : 5021 - 5031
[8] APPLICATION OF PERTURBATION-THEORY TO VLE CALCULATIONS FOR POLAR MIXTURES
VONAU, W
SOLOWEJTSCHIK, W
WINKELMANN, J
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG, 1988, 269 (03): : 472 - 480
[9] ITERATIVE NATURAL ORBITALS FOR CONFIGURATION INTERACTION USING PERTURBATION-THEORY
JAFRI, JA
WHITTEN, JL
THEORETICA CHIMICA ACTA, 1977, 44 (03): : 305 - 313
[10] CALCULATION OF IONIZATION-POTENTIALS BY PERTURBATION-THEORY COUPLED WITH CONFIGURATION INTERACTION
BACSKAY, GB
CHEMICAL PHYSICS, 1977, 26 (01) : 47 - 57

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