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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 44 (1977), S. 201-213 
    ISSN: 1432-2234
    Keywords: Generalized perturbation theory ; First-order wave function
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
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