Relativistic configuration-interaction theory for atomic systems
- 1 December 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 44 (11) , 7092-7107
- https://doi.org/10.1103/physreva.44.7092
Abstract
The relativistic configuration-interaction method with analytical relativistic Hartree-Fock-Roothaan (RHFR) basis functions for atomic systems is presented. One-electron functions used for constructing configuration state functions (CSF’s) are obtained with the RHFR method in which the large and small components of the radial part of a four-component wave function are expanded in terms of an analytical basis set consisting of Slater-type orbitals. Numerical application of the method to neonlike atomic systems is carried out. It is shown that calculated excitation energies with the method are in good agreement with experiment. The Z-dependent behavior of the optical oscillator strengths for various electric-dipole transitions from the ground state in the systems is also given.Keywords
This publication has 37 references indexed in Scilit:
- Relative intensities of 22-2s2 transitions in F i– to B i–like Ti, Cr, Fe, Ni, and Ge in a tokamak plasma: A comparison of experiment and theoryPhysical Review A, 1985
- Theory of relativistic effects on atoms: Configuration-space HamiltonianPhysical Review A, 1981
- An atomic multiconfigurational Dirac-Fock packageComputer Physics Communications, 1980
- Foundations of the relativistic theory of many-electron atomsPhysical Review A, 1980
- Relativistic Hartree-Fock-Roothaan theory for open-shell atomsPhysical Review A, 1975
- A multiconfiguration relativistic DIRAC-FOCK programComputer Physics Communications, 1975
- Configuration-Space Hamiltonian for Heavy Atoms and Correction to the Breit InteractionPhysical Review A, 1972
- Relativistic calculation of atomic structuresAdvances in Physics, 1970
- Relativistic Self-Consistent-Field Theory for Closed-Shell AtomsPhysical Review B, 1967
- On the interaction of two electronsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1951