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Variable basis sets in perturbation theory: Numerical finite perturbation versus analytic approach
Authors:Saul T. Epstein  Andrzej J. Sadlej
Abstract:We consider the problem of determining variational, external-field-dependent corrections to nonoptimal zero-field nonlinear parameters. Both a direct analytic perturbation analysis and finite perturbation methods are described in a general way and in detail for the SCF approximation. The abstract theory is illustrated by reference to the results of several explicit calculations. Also, the sensitivity of the results to the choice of zero-field values is discussed.
Keywords:
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