MC-SCF AND CI CALCULATIONS FOR AMMONIA MOLECULE

被引：13

作者：

DEJARDIN, P

KOCHANSK.E

VEILLARD, A

ROOS, B

SIEGBAHN, P

机构：

[1] UNIV LOUIS PASTEUR,CNRS,BP 296-R8,67 STRASBOURG,FRANCE

[2] UNIV STOCKHOLM,INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 59卷 / 10期

关键词：

D O I：

10.1063/1.1679905

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：5546 / 5553

页数：8

共 40 条

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[29] Invariance of inner shell correlation energy with geometry changes in a polyatomic molecule [J].

Pipano, A. ;

Gilman, R. R. .

CHEMICAL PHYSICS LETTERS, 1970, 5 (05) :285-287

[30] ELECTRONIC STRUCTURE AND INVERSION BARRIER OF AMMONIA [J].

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ALLEN, LC ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (08) :4133-&

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