Relativistic exchange-correlation energy functional: Gauge dependence of the no-pair correlation energy

被引:6
作者
Bonetti, AF
Engel, E
Dreizler, RM
Andrejkovics, I
Muller, H
机构
[1] Goethe Univ Frankfurt, Inst Theoret Phys, D-60054 Frankfurt, Germany
[2] Lajos Kossuth Univ, Dept Theoret Phys, H-4010 Debrecen, Hungary
[3] TRIUMF, Vancouver, BC V6T 2A3, Canada
来源
PHYSICAL REVIEW A | 1998年 / 58卷 / 02期
关键词
D O I
10.1103/PhysRevA.58.993
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We analyze the gauge dependence of the relativistic electron gas correlation energy E-c resulting from the no-pair approximation. In particular, we evaluate the relativistic no-pair Lindhard function as the basic ingredient of the random-phase approximation (RPA) for E-c. The resulting gauge-dependent no-pair RPA is compared with a gauge-invariant counterpart. The implications for relativistic density functionals are examined by applying the local-density approximation based on each of these forms of E-c to atoms. It is found that the gauge dependence of E-c is irrelevant on the overall level of accuracy obtained with present density functionals. [S1050-2947(98)07207-2]
引用
收藏
页码:993 / 1000
页数:8
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