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
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.
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页数:6
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