SOME CALCULATIONS ON ETHYLENE MOLECULE

被引：14

作者：

HUZINAGA, S

机构：

[1] Department of Chemistry, The University of Alberta, Edmonton, Alberta

来源：

THEORETICA CHIMICA ACTA | 1969年 / 15卷 / 01期

关键词：

D O I：

10.1007/BF00526462

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：

A series of variational calculations are reported for the ethylene molecule, using ASMO LCAO method with CGTO's (combined Gaussian-type orbitals) as the basic atomic orbitals. The three electronic states, 1Ag(N), 3B1 u(T) and 1B1 u(V), are investigated with a special emphasis on the 1B1u state. © 1969 Springer-Verlag.

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页码：12 / &

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