Relativistic perturbation theory. third order variational perturbation calculations for H2+
- 1 September 1987
- journal article
- Published by IOP Publishing in Physica Scripta
- Vol. 36 (3) , 397-399
- https://doi.org/10.1088/0031-8949/36/3/003
Abstract
A variation perturbation approach is presented for the Dirac equation of linear molecules. The method is tested on the lowest S1/2 state of H and σ1/2 state of H2+.Keywords
This publication has 22 references indexed in Scilit:
- Relativistic perturbation theory: II. One-electron variational perturbation calculationsJournal of Physics B: Atomic and Molecular Physics, 1986
- Relativistic perturbation theory. I. A new perturbation approach to the Dirac equationJournal of Physics B: Atomic and Molecular Physics, 1986
- Kinetic balance: A partial solution to the problem of variational safety in Dirac calculationsThe Journal of Chemical Physics, 1984
- Dirac-Fock discrete-basis calculations on the beryllium atomChemical Physics Letters, 1983
- Basis set expansions of relativistic molecular wave equationsMolecular Physics, 1982
- Conditions for convergence of variational solutions of Dirac's equation in a finite basisPhysical Review A, 1982
- Relativistic effects on R e and D e in AgH and AuH from all-electron Dirac–Hartree–Fock calculationsThe Journal of Chemical Physics, 1982
- Reply to "A remark on Moore's new method of obtaining approximate solutions of the Dirac equation"Canadian Journal of Physics, 1981
- Application of discrete-basis-set methods to the Dirac equationPhysical Review A, 1981
- An Alternative Method of Obtaining Approximate Solutions to the Dirac Equation. ICanadian Journal of Physics, 1975