A VALENCE BOND STUDY OF THE DIPOLE-MOMENT OF CO

被引：0

作者：

BURRITT, A ^{[1
]}

MACLAGAN, RGAR ^{[1
]}

MORRISON, MR ^{[1
]}

机构：

[1] UNIV CANTERBURY, DEPT CHEM, CHRISTCHURCH 1, NEW ZEALAND

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1992年 / 93卷

关键词：

D O I：

暂无

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：

Valence bond calculations of the dipole moment of CO are reported. Unlike the molecular orbital approximation, the simplest valence bond wavefunction gives the correct sign for the dipole moment. The molecular orbital wavefunction is analysed using insights from the valence bond calculations. A limited configuration interaction calculation is also reported.

引用

页码：63 / 67

页数：5

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