Non-orthogonal orbitals and perturbation theory
- 11 July 1975
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 8 (10) , 1585-1590
- https://doi.org/10.1088/0022-3700/8/10/010
Abstract
A simple perturbation procedure is described, using two non-orthogonal functions chosen so as to automatically diagonalize the operator (H0-E0). The method yields good results for the second-order energy contributions E2(l) to the 1s2 ground state energy.Keywords
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