A dynamical damping scheme for converging molecular scf calculations
- 15 April 1979
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 62 (3) , 550-554
- https://doi.org/10.1016/0009-2614(79)80761-7
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Convergence acceleration of matrix Hartree—Fock calculations by Padé approximants of type IIChemical Physics Letters, 1973
- General SCF operator satisfying correct variational conditionThe Journal of Chemical Physics, 1973
- Brillouin's theorem in Roothaan's open-shell SCF methodMolecular Physics, 1972
- Direct minimisation of the energy functional in some open-shell LCAO calculations on atomsChemical Physics Letters, 1970
- The proper treatment of off-diagonal lagrange multipliers and coupling operators in self-consistent field equationsChemical Physics Letters, 1969
- Coupling Operator Method in the SCF TheoryThe Journal of Chemical Physics, 1969
- Generalized brillouin theorem for multiconfigurational SCF theoriesInternational Journal of Quantum Chemistry, 1968
- Self-Consistent Field Theory for Open Shells of Electronic SystemsReviews of Modern Physics, 1960
- Self-Consistent Orbitals for RadicalsThe Journal of Chemical Physics, 1954
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951