Core polarization corrections on the relativistic core effective potentials formalism
- 1 June 1988
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 166, 163-168
- https://doi.org/10.1016/0166-1280(88)80431-7
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- A b i n i t i o relativistic effective potentials with spin-orbit operators. II. K through KrThe Journal of Chemical Physics, 1986
- Core-valence correlation in relativistic effective potentialsChemical Physics Letters, 1986
- Ab initio relativistic effective potentials with spin-orbit operators. I. Li through ArThe Journal of Chemical Physics, 1985
- Treatment of intershell correlation effects in a b i n i t i o calculations by use of core polarization potentials. Method and application to alkali and alkaline earth atomsThe Journal of Chemical Physics, 1984
- Improved a b i n i t i o effective core potentials for molecular calculationsThe Journal of Chemical Physics, 1979
- Perturbation calculation of atomic correlation energies for the first transition periodChemical Physics Letters, 1979
- Finite perturbation calculation for the static dipole polarizabilities of the atoms Na through CaPhysical Review A, 1976
- Spectroscopic constants and the dipole moment functions for the 1Σ+ ground state of NaLiThe Journal of Chemical Physics, 1976
- Finite perturbation calculations for the static dipole polarizabilities of the first-row atomsPhysical Review A, 1976
- PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydridesThe Journal of Chemical Physics, 1975