RELATIVISTIC MANY-BODY PERTURBATION-THEORY CALCULATIONS BASED ON DIRAC-FOCK-BREIT WAVE-FUNCTIONS

被引:47
作者
ISHIKAWA, Y
QUINEY, HM
机构
[1] UNIV PUERTO RICO, CHEM PHYS PROGRAM, RIO PIEDRAS, PR 00931 USA
[2] UNIV OXFORD, DEPT THEORET CHEM, OXFORD OX1 3UB, ENGLAND
来源
PHYSICAL REVIEW A | 1993年 / 47卷 / 03期
关键词
D O I
10.1103/PhysRevA.47.1732
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A relativistic many-body perturbation theory based on the Dirac-Fock-Breit wave functions has been developed and implemented by employing analytic basis sets of Gaussian-type functions. The instantaneous Coulomb and low-frequency Breit interactions are treated using a unified formalism in both the construction of the Dirac-Fock-Breit self-consistent-field atomic potential and in the evaluation of many-body perturbation-theory diagrams. The relativistic many-body perturbation-theory calculations have been performed on the helium atom and ions of the helium isoelectronic sequence up to Z = 50. The contribution of the low-frequency Breit interaction to the relativistic correlation energy is examined for the helium isoelectronic sequence.
引用
收藏
页码:1732 / 1739
页数:8
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