FURTHER TESTS OF THE APPROXIMATE DOUBLE SUBSTITUTION COUPLED-CLUSTER METHOD

被引：38

作者：

DYKSTRA, CE

LIU, SY

DASKALAKIS, MF

LUCIA, JP

TAKAHASHI, M

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1987年 / 137卷 / 03期

关键词：

D O I：

10.1016/0009-2614(87)80217-8

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：266 / 272

页数：7

共 40 条

[1] ORTHOGONALLY-SPIN-ADAPTED COUPLED-CLUSTER THEORY FOR CLOSED-SHELL SYSTEMS INCLUDING TRI-EXCITED CLUSTERS [J].

ADAMS, BG ;

PALDUS, J .

PHYSICAL REVIEW A, 1979, 20 (01) :1-17

[2] PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES [J].

AHLRICHS, R ;

LISCHKA, H ;

STAEMMLER, V ;

KUTZELNIGG, W .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1225-1234

[3] APPLICATION OF AN APPROXIMATE DOUBLE SUBSTITUTION COUPLED CLUSTER (ACCD) METHOD TO THE POTENTIAL CURVES OF CO AND NEHE - HIGHER-ORDER CORRELATION-EFFECTS IN CHEMICALLY AND WEAKLY BONDED MOLECULES [J].

BACHRACH, SM ;

CHILES, RA ;

DYKSTRA, CE .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (05) :2270-2275

[4] 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

[5]

BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8

[6] MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM [J].

BARTLETT, RJ ;

PURVIS, GD .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :561-581

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

BARTLETT, RJ ;

PURVIS, GD .

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

[8]

BARTLETT RJ, 1984, ADV THEORIES COMPUTA

[9]

BARTLETT RJ, 1977, INT J QUANTUM CHEM S, V11, P165

[10] TESTING OF DIATOMIC POTENTIAL-ENERGY FUNCTIONS BY NUMERICAL METHODS [J].

CASHION, JK .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (07) :1872-&

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