SEPARATION AND EVALUATION OF FIRST-ORDER-PERTURBATION INTERMOLECULAR ENERGY-TERMS IN LCAO MO SCF CALCULATIONS - APPLICATION TO HE2 SYSTEM

被引：6

作者：

BELTRANL.V

FLORES, MJ

NOVARO, O

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1971年 / 11卷 / 04期

关键词：

D O I：

10.1016/0009-2614(71)80374-3

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：417 / +

页数：1

共 9 条

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PULLMAN, A .

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[4]

MARGENAU H, 1969, THEORY INTERMOLECULA, P93

[5]

MCWEENY R, 1969, METHODS MOL QUANTUM, P49

[6] THEORY OF INTERMOLECULAR FORCES IN REGION OF SMALL ORBITAL OVERLAP [J].

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WILLIAMS, DR .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1965, 284 (1399) :566-&

[7] INTERMOLECULAR FORCES IN REGION OF SMALL ORBITAL OVERLAP [J].

MURRELL, JN ;

SHAW, G .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :1768-&

[8] DEVIATIONS FROM PAIRWISE ADDITIVITY IN INTERMOLECULAR POTENTIALS [J].

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SCHAAD, LJ ;

MURRELL, JN .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (12) :4916-&

[9]

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