Relaxed geometries and dipole moments of positron complexes with diatomic molecules.

被引：1

作者：

Assafrao, Denise ^{[1
]}

Mohallem, Jose R. ^{[1
]}

机构：

[1] Univ Fed Minas Gerais, ICEx, Dept Fis, Lab Atomos & Mol Especiais, BR-30123970 Belo Horizonte, MG, Brazil

来源：

XV INTERNATIONAL WORKSHOP ON LOW ENERGY POSITRON AND POSITRONIUM PHYSICS | 2010年 / 199卷

关键词：

BINDING; RELAXATION; HYDRIDES;

D O I：

10.1088/1742-6596/199/1/012014

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

Relaxed geometries and dipole moments of diatomic molecules interacting with a slow positron are reported as functions of the positron distance to the more electronegative atom. A molecular model for the complex that allows applications to large systems is used. The electron population on the positron is proposed as a weighting function to calculate the average quantities. Results show Self-Consistent-Field quality or better.

引用

页数：6

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