Development of a Kohn-Sham like potential in the self-consistent atomic deformation model

被引：19

作者：

Mehl, MJ

Stokes, HT

Boyer, LL

机构：

[1] Complex Systems Theory Branch, Naval Research Laboratory, Washington

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1996年 / 57卷 / 10期

关键词：

ab initio calculations; electronic structure;

D O I：

10.1016/0022-3697(96)00005-4

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

This is a brief description of how to derive the local 'atomic' potentials from the Self-Consistent Atomic Deformation (SCAD) model density functional. Particular attention is paid to the spherically averaged case.

引用

页码：1405 / 1407

页数：3

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