Multi-configuration self-consistent wavefunctions of formaldehyde

被引：57
|
作者：
Levy, B. [1 ]
机构：
[1] Ecole Normale Super, Chim Lab, F-75231 Paris 5, France
来源：
CHEMICAL PHYSICS LETTERS | 1969年 / 4卷 / 01期
关键词：
D O I：
10.1016/0009-2614(69)85022-0
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：
Four multi-configuration self-consistent wavefunctions of formaldehyde are calculated in a minimum basis of atomic orbitals. Final molecular orbitals are localized on the chemical bonds. Greatest contribution to the energy comes from the sigma-pi dispersion type interaction.
引用
收藏
页码：17 / 19
页数：3
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