Spin‐orbit (core) and core potential integrals
- 1 December 1991
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 40 (6) , 773-780
- https://doi.org/10.1002/qua.560400606
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- A b i n i t i o relativistic effective potentials with spin–orbit operators. IV. Cs through RnThe Journal of Chemical Physics, 1990
- Electronic structure and spectra of uranoceneJournal of the American Chemical Society, 1989
- Electronic-structure methods for heavy-atom moleculesThe Journal of Physical Chemistry, 1988
- Relativistic Quantum ChemistryAdvances in Chemical Physics, 1987
- Relativistic Effects in Chemical SystemsAnnual Review of Physical Chemistry, 1985
- Relativistic calculations of dissociation energies and related propertiesInternational Journal of Quantum Chemistry, 1984
- Calculation of integrals over ab initio pseudopotentialsJournal of Computational Physics, 1981
- Pseudopotential matrix elements in the Gaussian basisComputer Physics Communications, 1981
- AB initio effective core potentials including relativistic effects. A procedure for the inclusion of spin-orbit coupling in molecular wavefunctionsChemical Physics Letters, 1981
- Non-empirical pseudopotentials for molecular calculationsMolecular Physics, 1977