COMPLETE ACTIVE SPACE SCF (CAS SCF) CALCULATIONS ON THE EQUILIBRIUM GEOMETRY AND VIBRATIONAL-SPECTRUM OF THE HNO MOLECULE IN ITS LOWEST 1A', 1A' AND 3A' STATES

被引：29

作者：

HEIBERG, A

ALMLOF, J

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1982年 / 85卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(82)80355-2

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

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页码：542 / 548

页数：7

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