Two-dimensional fully numerical solutions of molecular Dirac equations. One-electron molecules
- 1 August 1984
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 109 (5) , 485-487
- https://doi.org/10.1016/0009-2614(84)80348-6
Abstract
No abstract availableThis publication has 9 references indexed in Scilit:
- Two-dimensional fully numerical MC SCF calculations on H2 and LiH: The dipole moment of LiHChemical Physics Letters, 1984
- Two-dimensional fully numerical solutions of molecular Hartree-Fock equations: LiH and BHChemical Physics Letters, 1983
- Two‐dimensional fully numerical solutions of molecular Schrödinger equations. I. One‐electron moleculesInternational Journal of Quantum Chemistry, 1983
- Two‐Dimensional fully numerical solutions of molecular Schrödinger equations. II. Solution of the Poisson equation and results for singlet states of H2 and HeH+International Journal of Quantum Chemistry, 1983
- New Representation of theOperator in the Solution of Dirac-Type Equations by the Linear-Expansion MethodPhysical Review Letters, 1982
- Conditions for convergence of variational solutions of Dirac's equation in a finite basisPhysical Review A, 1982
- Variational solution of the dirac equation within a multicentre basis set of gaussian functionsChemical Physics Letters, 1980
- Relativistic corrections for H2+ and its isotopesThe Journal of Chemical Physics, 1977
- Relativistic Theory of H2+The Journal of Chemical Physics, 1969