Paths to optimization in the multistate Rayleigh-Ritz variational method: Applications to the double-well quantum anharmonic oscillator

R. F. Bishop, M. F. Flynn, M. C. Boscá, R. Guardiola

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    Abstract

    Both single-well and multiwell one-dimensional anharmonic oscillators have provided an extremely fruitful testing ground for various modern techniques of microscopic quantum many-body theory and quantum field theory. They have served both as (0+1)-dimensional field-theory models of their important counterparts in a higher number of dimensions, and as algebraically simple yet highly nontrivial problems on which various approximation or truncation schemes could be tested to very high orders. Such techniques have included perturbation theory and its many possible resummation schemes, and the coupled-cluster method. In the present paper the spotlight is focused on variational methods, and we concentrate on their application to the particularly demanding double-well quartic anharmonic oscillator. We examine in detail both single-state and multistate variational calculations based on either orthogonal (uncorrelated) or nonorthogonal (correlated) basis functions. Particular attention is paid to the question of the sensitivity and accuracy of the results with respect to any nonlinear parameters that characterize the basis states. Practical schemes are suggested for their choice and are shown to be capable of very high accuracy. Use of this simple model also allows detailed comparisons to be made with other techniques of a perturbative or perturbative-variational hybrid character.
    Original languageEnglish
    Pages (from-to)6154-6168
    Number of pages15
    JournalPhysical Review A (Atomic, Molecular and Optical Physics)
    Volume40
    DOIs
    Publication statusPublished - 1989

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