Effects of correlation and Breit and transverse interactions in the relativistic local-density theory for atoms
- 1 January 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 25 (1) , 96-101
- https://doi.org/10.1103/physreva.25.96
Abstract
The results of a recent calculation of the correlation energy in the relativistic electron gas are used to calculate the correlation contributions to the total energy and binding energy in several heavy atomic systems. To assess the effects of a self-consistent calculation, a lowest-order perturbation scheme was also employed. The correlation contribution to the lines are compared to the differences between theoretical calculations without correlation of Huang et al. and the accurate experimental values of Deslattes et al. The contributions of Breit and transverse interactions to heavy atoms are calculated within a local-density scheme and comparisons are made to the nonlocal Dirac-Fock results of Mann and Johnson. It is found that nonlocal effects may be important.
Keywords
This publication has 14 references indexed in Scilit:
- Inhomogeneous relativistic electron gas: Correlation potentialPhysical Review A, 1981
- Truncated expansion of the ground-state energy of a neutral atom in powers of Z-1/3: coefficients of the leading termsJournal of Physics B: Atomic, Molecular and Optical Physics, 1981
- A relativistic density functional formalismJournal of Physics C: Solid State Physics, 1979
- Inhomogeneous relativistic electron gasJournal of Physics C: Solid State Physics, 1978
- A local exchange-correlation potential for the spin polarized case. iJournal of Physics C: Solid State Physics, 1972
- Exchange- and Correlation-Energy Calculations in Finite SystemsPhysical Review A, 1971
- Breit Interaction in Multielectron AtomsPhysical Review A, 1971
- Relativistic self-consistent field program for atoms and ionsComputer Physics Communications, 1971
- New Potential Function for Atomic and Solid-State CalculationsPhysical Review B, 1970
- Atomic Self-Consistent-Field Calculations Using Statistical Approximations for Exchange and CorrelationPhysical Review B, 1967