EOM/PROPAGATOR CALCULATIONS OF VERTICAL IONIZATION POTENTIALS OF B2H6

被引：0

作者：

Huang Mingbao ^{[1
]}

Pan Daokai ^{[2
]}

机构：

[1] Univ Sci & Technol China, Dept Modern Chem, Hefei 230026, Peoples R China

[2] E China Normal Univ, Dept Chem, Shanghai 200062, Peoples R China

来源：

ACTA PHYSICO-CHIMICA SINICA | 1988年 / 4卷 / 06期

关键词：

D O I：

10.3866/PKU.WHXB19880615

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：

The vertical ionization potentials of B2H6, were calculated by means of the EOM/propagator method with a second order approximatiou . We used the 3-21G basis sets without adding polarization . The calculated potentials are in good with experimental values

引用

页码：645 / 648

页数：4

共 17 条

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