A ground state steepest descent perturbation theory
- 15 February 1987
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 86 (4) , 2105-2109
- https://doi.org/10.1063/1.452160
Abstract
An entirely new approach to ground state perturbation theory is presented which is based on the application of the steepest descent technique to improve the estimate of the ground state energy. Unlike other perturbation theories this does not require either infinite summation over states or the solution of a differential equation. Moreover the computed energy is an upper bound to the true one. Several numerical examples are given exhibiting the improved performance of the new method over the traditional Rayleigh–Schrödinger perturbation theory (RSPT).Keywords
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