CALCULATION OF THE 4TH-ORDER TRIPLE-EXCITATION CONTRIBUTION TO MB RSPT BY USING SPATIAL SYMMETRY PROPERTIES OF MOLECULES

被引：65

作者：

NOGA, J

机构：

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1983年 / 29卷 / 02期

关键词：

D O I：

10.1016/0010-4655(83)90067-X

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

引用

页码：117 / 124

页数：8

共 15 条

[1]

DIERCKSEN GHF, 1973, MUNICH MOL PROGRAM S

[2] A SYSTEMATIC STUDY OF THE EFFECT OF TRIPLE SUBSTITUTIONS ON THE ELECTRON CORRELATION-ENERGY OF SMALL MOLECULES [J].

FRISCH, MJ ;

KRISHNAN, R ;

POPLE, JA .

CHEMICAL PHYSICS LETTERS, 1980, 75 (01) :66-68

[3] ABINITIO STUDIES OF CHEMICAL-EQUILIBRIA - APPLICATION OF MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY UP TO 3RD ORDER TO PROTON AFFINITY OF WATER [J].

KELLO, V ;

URBAN, M ;

HUBAC, I ;

CARSKY, P .

CHEMICAL PHYSICS LETTERS, 1978, 58 (01) :83-86

[4] WIGNERS (2N+1) RULE IN MBPT [J].

KVASNICKA, V ;

LAURINC, V ;

BISKUPIC, S .

MOLECULAR PHYSICS, 1980, 39 (01) :143-161

[5] COMPLETE 4TH-ORDER CALCULATION OF CORRELATION-ENERGY FOR CLOSED-SHELL MOLECULES BY DIAGRAMMATIC RSPT [J].

KVASNICKA, V ;

LAURINC, V ;

BISKUPIC, S .

CZECHOSLOVAK JOURNAL OF PHYSICS, 1981, 31 (01) :41-54

[6]

NEUMANN DB, 199 QUANT CHEM PROGR

[7] DIAGRAMMATIC MANY-BODY PERTURBATION EXPANSION FOR ATOMS AND MOLECULES .1. GENERAL ORGANIZATION [J].

SILVER, DM .

COMPUTER PHYSICS COMMUNICATIONS, 1978, 14 (1-2) :71-79

[8] DIAGRAMMATIC MANY-BODY PERTURBATION EXPANSION FOR ATOMS AND MOLECULES .2. 2ND-ORDER AND 3RD-ORDER LADDER ENERGIES [J].

SILVER, DM .

COMPUTER PHYSICS COMMUNICATIONS, 1978, 14 (1-2) :81-89

[9] APPLICATIONS OF PERTURBATION-THEORY TO THE CHEMICAL PROBLEMS POTENTIAL-ENERGY CURVES OF BH, F2 AND N2 [J].

URBAN, M ;

KELLO, V .

MOLECULAR PHYSICS, 1979, 38 (05) :1621-1633

[10]

URBAN M, THEORET CHIM ACTA

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