TRANSVERSE EXCHANGE ENERGY IN RELATIVISTIC DENSITY-FUNCTIONAL CALCULATIONS - AN ALTERNATIVE APPROXIMATION

被引：1
作者：
BOERO, M [1 ]
CORTONA, P [1 ]
机构：
[1] UNIV GENOA, DIPARTIMENTO FIS, I-16146 GENOA, ITALY
来源：
PHYSICAL REVIEW A | 1994年 / 49卷 / 02期
关键词：
D O I：
10.1103/PhysRevA.49.825
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
The large error of the local-density approximation for the transverse photon-electron or Breit interaction is analyzed, transforming the Breit interaction into a sum of terms suitable to be handled in a nonrelativistic formalism: the local approximation for each of these terms is built up and an alternative expression for the relativistic exchange energy is proposed. Calculations using this expression are made for atoms ranging throughout the periodic table and the results show a sharp improvement when compared to those obtained by the previous approximation.
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页码：825 / 828
页数：4
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