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
相关论文
共 34 条
[1]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[2]   QUANTUM ELECTRODYNAMICS OF NONTHERMAL RELATIVISTIC PLASMAS - KINETIC-THEORY [J].
BEZZERIDES, B ;
DUBOIS, DF .
ANNALS OF PHYSICS, 1972, 70 (01) :10-+
[3]   EVALUATION OF 2-PHOTON-EXCHANGE GRAPHS FOR HIGHLY-CHARGED HELIUM-LIKE IONS [J].
BLUNDELL, SA ;
MOHR, PJ ;
JOHNSON, WR ;
SAPIRSTEIN, J .
PHYSICAL REVIEW A, 1993, 48 (04) :2615-2626
[4]   RELATIVISTIC MANY-BODY THEORY OF HIGH-DENSITY MATTER [J].
CHIN, SA .
ANNALS OF PHYSICS, 1977, 108 (02) :301-367
[5]   LOCAL AND NONLOCAL RELATIVISTIC EXCHANGE-CORRELATION ENERGY FUNCTIONALS - COMPARISON TO RELATIVISTIC OPTIMIZED-POTENTIAL-MODEL RESULTS [J].
ENGEL, E ;
KELLER, S ;
BONETTI, AF ;
MULLER, H ;
DREIZLER, RM .
PHYSICAL REVIEW A, 1995, 52 (04) :2750-2764
[6]   Generalized gradient approximation for the relativistic exchange-only energy functional [J].
Engel, E ;
Keller, S ;
Dreizler, RM .
PHYSICAL REVIEW A, 1996, 53 (03) :1367-1374
[7]  
Engel E, 1998, ELECTRONIC DENSITY FUNCTIONAL THEORY, P149
[8]   Relativistic optimized-potential method: Exact transverse exchange and Moller-Plesset-based correlation potential [J].
Engel, E ;
Bonetti, AF ;
Keller, S ;
Andrejkovics, I ;
Dreizler, RM .
PHYSICAL REVIEW A, 1998, 58 (02) :964-992
[9]  
ENGEL E, 1995, NATO ADV SCI INST SE, V337, P65
[10]  
Engel E, 1996, TOP CURR CHEM, V181, P1