BASIS SET CONTRACTION EFFECTS ON ONE-ELECTRON PROPERTIES

被引：4

作者：

GODDARD, JD ^{[1
]}

CSIZMADIA, IG ^{[1
]}

机构：

[1] UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1977年 / 67卷 / 03期

关键词：

D O I：

10.1063/1.434944

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

收藏

页码：1281 / 1282

页数：2

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[1] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
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[5] CONFIGURATION INTERACTION WAVEFUNCTIONS AND COMPUTED INVERSION BARRIERS FOR NH3 AND CH3-
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[6] INTERDEPENDENCE AND OPTIMIZATION OF GAUSSIAN FUNCTION REPRESENTATIONS FOR FLUORINE ATOM
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[7] MEZEY PG, TO BE PUBLISHED