Acta Chimica Sinica ›› 1955, Vol. 21 ›› Issue (2): 103-114. Previous Articles     Next Articles

氢分子的自洽势场多中心分子轨道处理法

徐光憲, 谭曾振, 王之樸   

  1. 北京大学化学系
  • 投稿日期:1954-12-04 发布日期:2013-06-04

SELF-CONSISTENT FIELD MULTI-CENTERED MOLECULAR ORBITAL TREATMENT OF HYDROGEN MOLECULE

Hsu KWANG-HSIEN, TAN TSENG-CHEN, WANG CHIH-PU   

  1. Department of Chemistry, Peking University
  • Received:1954-12-04 Published:2013-06-04

Although James and Coolidge (1933) solved the molecular hydrogen problem in almost complete agreement with experiment by using. a 13-term 2-electron eigenfunction, his method can hardly be applied to more complex molecules. For this and other reasons (Coulson, 1938), it is still desirable to obtain a good one-electron eigenfunction, i.e., molecular orbital, for the hydrogen molecule.