LOCAL SPACE APPROXIMATION FOR CONFIGURATION-INTERACTION AND COUPLED CLUSTER WAVE-FUNCTIONS

被引：50

作者：

KIRTMAN, B ^{[1
]}

DYKSTRA, CE ^{[1
]}

机构：

[1] UNIV ILLINOIS,DEPT CHEM,URBANA,IL 61801

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 05期

关键词：

D O I：

10.1063/1.451036

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：2791 / 2796

页数：6

共 28 条

[1]

AHLRICHS R, 1979, COMP PHYS COMMUN, V17, P341

[2]

AHLRICHS R, 1984, NATO ASI C, V133

[3] MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].

BARTLETT, RJ .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401

[4] MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS [J].

BARTLETT, RJ ;

PURVIS, GD .

PHYSICA SCRIPTA, 1980, 21 (3-4) :255-265

[5]

BARTLETT RJ, 1978, INT J QUANTUM CHEM, V14, P545

[6] AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS [J].

CHILES, RA ;

DYKSTRA, CE .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) :4544-4556

[7]

CIZEK J, 1966, J CHEM PHYS, V45, P4256

[8]

CIZEK J, 1969, ADV CHEM PHYS, V14, P25

[9]

DEMELO CAR, UNPUB PHYS REV B

[10] THEORY OF SELF-CONSISTENT ELECTRON PAIRS - COMPUTATIONAL METHODS AND PRELIMINARY APPLICATIONS [J].

DYKSTRA, CE ;

SCHAEFER, HF ;

MEYER, W .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (07) :2740-2750

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