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.

引用

页码：825 / 828

页数：4

共 20 条

[1] REDUCTION OF RELATIVISTIC 2-PARTICLE WAVE EQUATIONS TO APPROXIMATE FORMS .3.
BARKER, WA
GLOVER, FN
[J]. PHYSICAL REVIEW, 1955, 99 (01): : 317 - 324
[2] REDUCTION OF RELATIVISTIC 2-PARTICLE WAVE EQUATIONS TO APPROXIMATE FORMS .1.
CHRAPLYVY, ZV
[J]. PHYSICAL REVIEW, 1953, 91 (02): : 388 - 391
[3] SIMPLIFIED METHOD FOR FULLY RELATIVISTIC SPIN-POLARIZED DENSITY-FUNCTIONAL CALCULATIONS
CORTONA, P
[J]. PHYSICAL REVIEW B, 1989, 40 (18): : 12105 - 12110
[4] RELATIVISTIC EXTENSION OF THE SPIN-POLARIZED LOCAL-DENSITY-FUNCTIONAL THEORY - STUDY OF THE ELECTRONIC AND MAGNETIC-PROPERTIES OF THE RARE-EARTH IONS
CORTONA, P
DONIACH, S
SOMMERS, C
[J]. PHYSICAL REVIEW A, 1985, 31 (05): : 2842 - 2850
[5] FEDER R, 1983, Z PHYS B CON MAT, V52, P31, DOI 10.1007/BF01305895
[6] Huang K.-N., 1976, Atomic Data and Nuclear Data Tables, V18, P243, DOI 10.1016/0092-640X(76)90027-9
[7] RELATIVISTIC DEGENERATE ELECTRON GAS
JANCOVICI, B
[J]. NUOVO CIMENTO, 1962, 25 (02): : 428 - +
[8] TECHNIQUE FOR RELATIVISTIC SPIN-POLARIZED CALCULATIONS
KOELLING, DD
HARMON, BN
[J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (16): : 3107 - 3114
[9] SPIN-POLARISED RELATIVISTIC EXCHANGE ENERGIES AND POTENTIALS
MACDONALD, AH
[J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1983, 16 (20): : 3869 - 3876
[10] RELATIVISTIC DENSITY FUNCTIONAL FORMALISM
MACDONALD, AH
VOSKO, SH
[J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (15): : 2977 - 2990

← 1 2 →