A frozen-core approximation using reduced core-basis functions
- 1 May 1992
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 96 (9) , 6773-6777
- https://doi.org/10.1063/1.462565
Abstract
No abstract availableKeywords
This publication has 24 references indexed in Scilit:
- Construction of orthogonal subspacesInternational Journal of Quantum Chemistry, 1991
- The a b i n i t i o model potential method. First series transition metal elementsThe Journal of Chemical Physics, 1989
- One‐center expansion for pseudopotential matrix elementsJournal of Computational Chemistry, 1988
- The a b i n i t i o model potential method. Main group elementsThe Journal of Chemical Physics, 1987
- A valence-space-only approach to the calculation of the electronic structure of many electron systemsMolecular Physics, 1986
- Relativistic Effects in Chemical SystemsAnnual Review of Physical Chemistry, 1985
- A comparison of semi-local and non-local pseudo-potential techniques: calculations on Fe and FeH+Molecular Physics, 1979
- An Overview of Computational Methods for Large MoleculesAdvances in Chemical Physics, 1974
- Construction of the hamiltonian matrix in large configuration interaction calculationsJournal of Computational Physics, 1973
- Approach to Partially Predetermining Molecular Electronic Structure. The Li He Interaction PotentialThe Journal of Chemical Physics, 1972