Finite-Basis-Set Approach to the Dirac-Hartree-Fock Equations
- 28 July 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 57 (4) , 408-411
- https://doi.org/10.1103/physrevlett.57.408
Abstract
A variational Dirac-Hartree-Fock procedure is introduced, which does not exhibit problems of spurious roots, variational collapse, or continuum dissolution. The optimized eigenvalues converge uniformly from above to the numerical Dirac-Hartree-Fock results as the dimension of the basis set is increased. Results for the , , and shells are presented as examples.
Keywords
This publication has 20 references indexed in Scilit:
- Continuum Dissolution and the Relativistic Many-Body Problem: A Solvable ModelPhysical Review Letters, 1985
- Theory of relativistic effects on atoms: Configuration-space HamiltonianPhysical Review A, 1981
- Foundations of the relativistic theory of many-electron atomsPhysical Review A, 1980
- Relativistic random phase approximation applied to atoms of the He isoelectronic sequencePhysical Review A, 1976
- Allowed and forbidden transitions of helium-like ionsJournal of Physics B: Atomic and Molecular Physics, 1976
- Structure of Heavy Atoms: Three-Body PotentialsPhysical Review A, 1971
- Hartree Fock Slater self consistent field calculationsComputer Physics Communications, 1970
- Relativistic Self-Consistent-Field Theory for Closed-Shell AtomsPhysical Review B, 1967
- Self-Consistent Field Theory for Open Shells of Electronic SystemsReviews of Modern Physics, 1960
- On the interaction of two electronsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1951