Positronic formaldehyde - the configuration interaction study

被引：52

作者：

Strasburger, K ^{[1
]}

机构：

[1] Wroclaw Univ Technol, Inst Phys & Theoret Chem, PL-50370 Wroclaw, Poland

来源：

STRUCTURAL CHEMISTRY | 2004年 / 15卷 / 05期

关键词：

positron; bound state; configuration interaction; formaldehyde;

D O I：

10.1023/B:STUC.0000037897.77760.65

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Positron binding to the formaldehyde molecule has been determined within the Hartree-Fock and configuration interaction approaches. Rough estimation of the positron affinity of formaldehyde, obtained with the CI method, is 684 micro-Hartree. Problems of building the appropriate positronic basis set in molecular calculations are discussed.

引用

页码：415 / 420

页数：6

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