Analytical Dirac-Fock SCF Method for Generalized Average Energy of Configurations
- 1 July 1982
- journal article
- Published by Physical Society of Japan in Journal of the Physics Society Japan
- Vol. 51 (7) , 2263-2266
- https://doi.org/10.1143/jpsj.51.2263
Abstract
No abstract availableThis publication has 12 references indexed in Scilit:
- Efficient methods for solving the open-shell scf problem and for obtaining an initial guess. The “one-hamiltonian” and the “partial scf” methodsChemical Physics Letters, 1980
- Relativistic self-consistent-field methods for molecules. II. A single-determinant Dirac–Fock self-consistent-field method for closed-shell polyatomic moleculesThe Journal of Chemical Physics, 1980
- Relativistic self-consistent-field methods for molecules. I. Dirac–Fock multiconfiguration self-consistent-field theory for molecules and a single-determinant Dirac–Fock self-consistent-field method for closed-shell linear moleculesThe Journal of Chemical Physics, 1980
- SCF theory for excited statesMolecular Physics, 1974
- On the coupling operator methodThe Journal of Chemical Physics, 1974
- Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120Atomic Data and Nuclear Data Tables, 1973
- Relativistic treatment of outer electron orbitalsInternational Journal of Quantum Chemistry, 1972
- Relativistic energies of excited states of atoms and ions of the second periodJournal of Physics B: Atomic and Molecular Physics, 1971
- Relativistic Self-Consistent-Field Theory for Closed-Shell AtomsPhysical Review B, 1967
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951