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Variable basis sets in perturbation theory: Numerical finite perturbation versus analytic approach
Author(s) -
Epstein Saul T.,
Sadlej Andrzej J.
Publication year - 1979
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560150203
Subject(s) - poincaré–lindstedt method , perturbation (astronomy) , perturbation theory (quantum mechanics) , nonlinear system , mathematics , physics , mathematical analysis , quantum mechanics
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.