Brillouin's theorem for excited (nl)q(n'l)q' configurations
- 1 October 1973
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 6 (10) , 1933-1941
- https://doi.org/10.1088/0022-3700/6/10/009
Abstract
It is shown that in the non-orthogonal Hartree-Fock approximation Brillouin's theorem holds for all functions Phi c* obtained from Phi c by the replacement of one nl electron by n*l, such a replacement affecting only the radial part of the wavefunction. The orthogonality restrictions of the Hartree-Fock approximation prevent the satisfaction of Brillouin's theorem for some replacements such as nln'lLS to nl2LS. A multi-configuration approximation then exists for which the theorem is valid.Keywords
This publication has 12 references indexed in Scilit:
- Multi-Configuration Hartree–Fock Correlation Study of 1s2s1SCanadian Journal of Physics, 1973
- A multi-configuration Hartree-Fock program with improved stabilityComputer Physics Communications, 1972
- Brillouin's theorem for inter-shell correlations in the atomic Hartree-Fock methodJournal of Physics B: Atomic and Molecular Physics, 1972
- Term dependence of Hartree-Fock results for some nln'l configurationsJournal of Physics B: Atomic and Molecular Physics, 1972
- Remarks on Brillouin's theorem in the atomic variational approachJournal of Physics B: Atomic and Molecular Physics, 1972
- The orthogonality assumption in the Hartree–Fock approximation for 2pn3p configurationsCanadian Journal of Physics, 1968
- Double Electron Ejection in the Photoabsorption ProcessPhysical Review B, 1968
- On the extended method of calculation of atomic structuresInternational Journal of Quantum Chemistry, 1967
- THE ORTHOGONALITY ASSUMPTION IN THE HARTREE–FOCK APPROXIMATIONCanadian Journal of Physics, 1967
- HARTREE–FOCK WAVE FUNCTIONS FOR EXCITED STATES: THE 2 1S STATE OF HELIUMCanadian Journal of Physics, 1965