Relativistic Gaussian basis sets for the atoms hydrogen to neon
- 1 September 1986
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 70 (3) , 165-188
- https://doi.org/10.1007/bf00531161
Abstract
No abstract availableKeywords
This publication has 43 references indexed in Scilit:
- Theory of relativistic effects on atoms: Configuration-space HamiltonianPhysical Review A, 1981
- Application of discrete-basis-set methods to the Dirac equationPhysical Review A, 1981
- The choice of Gaussian basis sets for molecular electronic structure calculationsJournal de Chimie Physique et de Physico-Chimie Biologique, 1981
- Foundations of the relativistic theory of many-electron atomsPhysical Review A, 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
- Ab initio relativistic self-consistent-field (RSCF) wavefunctions for the diatomics Li2 and Be2Chemical Physics Letters, 1980
- Relativistic Hartree-Fock-Roothaan theory for open-shell atomsPhysical Review A, 1975
- Roothaan-Hartree-Fock atomic wavefunctionsAtomic Data and Nuclear Data Tables, 1974
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951