CALCULATION OF CORRELATION ENERGY OF MOLECULES BY MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY UP TO 3RD ORDER

被引：31

作者：

URBAN, M

KELLO, V

HUBAC, I

机构：

[1] COMENIUS UNIV, DEPT PHYS CHEM, CS-81631 BRATISLAVA, CZECHOSLOVAKIA

[2] SLOVAK UNIV TECHNOL BRATISLAVA, FAC CHEM, DEPT MATH, CS-88037 BRATISLAVA, CZECHOSLOVAKIA

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 51卷 / 01期

关键词：

D O I：

10.1016/0009-2614(77)85378-5

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：170 / 174

页数：5

共 20 条

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[7]

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[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

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[9] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN [J].

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[10] MANY-BODY PERTURBATION-THEORY APPLIED TO MOLECULES - ANALYSIS AND CORRELATION ENERGY CALCULATION FOR LI-2, N-2, AND H-3 [J].

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JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2641-2659

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