Inclusion of relativistic effects in variational molecular calculations
- 24 June 1988
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 147 (6) , 597-602
- https://doi.org/10.1016/0009-2614(88)80275-6
Abstract
No abstract availableThis publication has 16 references indexed in Scilit:
- Relativistic kinetic energies and mass–velocity corrections in diatomic moleculesThe Journal of Chemical Physics, 1986
- A variational approach to relativistic effects in LCAO calculationsChemical Physics Letters, 1985
- Kinetically balanced calculations on relativistic many-electron atomsChemical Physics Letters, 1985
- Comment on: ‘‘Relativistic integrals over Breit–Pauli operators using general Cartesian Gaussian functions’’The Journal of Chemical Physics, 1984
- Matrix representation of the relativistic kinetic energy operator: Two-component variational procedure for the treatment of many-electron atoms and moleculesChemical Physics, 1984
- Basis set expansion of the dirac operator without variational collapseInternational Journal of Quantum Chemistry, 1984
- Relativistic integrals over Breit–Pauli operators using general Cartesian Gaussian functions. I. One-electron interactionsThe Journal of Chemical Physics, 1983
- Improved Pauli Hamiltonian for local-potential problemsPhysical Review B, 1978
- Approximate relativistic corrections to atomic radial wave functions*Journal of the Optical Society of America, 1976
- General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluationThe Journal of Chemical Physics, 1973