Abstract
A recently proposed version of generalized perturbation theory, in which the whole energy correction is taken care of in second order, is investigated with respect to the quality of its first-order wave function. It is demonstrated that the overlap of the wave function generated in this procedure with the exact solution is in most cases much closer to unity than those of the Rayleigh-Schroedinger or Brillouin-Wigner perturbation theories. Certain approximations, by means of which realistic systems become amenable to investigation within the presently discussed framework, are studied.
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Based on a section of a thesis to be submitted by N. M. to the senate of the Technion — Israel Institute of Technology, in partial fulfilment of the requirements for the D.Sc. degree, and presented in the Second International Congress of Quantum Chemistry, New Orleans, April 1976.
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Moiseyev, N., Katriel, J. Generalized perturbation theory: Quality of the first-order wave function. Theoret. Chim. Acta 44, 201–213 (1977). https://doi.org/10.1007/BF00549102
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DOI: https://doi.org/10.1007/BF00549102