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Applicability of nondegenerate many‐body perturbation theory to quasi‐degenerate electronic states. II. A two‐state model
Author(s) -
Wilson S.,
Jankowski K.,
Paldus J.
Publication year - 1985
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.560280409
Subject(s) - resummation , degenerate energy levels , radius of convergence , perturbation (astronomy) , degeneracy (biology) , convergent series , perturbation theory (quantum mechanics) , physics , quantum mechanics , statistical physics , mathematics , mathematical physics , power series , mathematical analysis , quantum chromodynamics , bioinformatics , biology
In reply to Kaldor's [Int. J. Quantum Chem. XX , XXX (1985)] criticism of our study of simple four‐electron models, in which the degree of quasi‐degeneracy can be continuously varied, by the finite‐order nondegenerate many‐body perturbation theory, we examine in more detail a simple two‐state model that the used to substantiate his claim that “the low order sum of the perturbation series is not very meaningful” in view of its divergence. It is shown that in contrast to Kaldor's claim, the partitioning used increases the radius of convergence of the considered perturbation series and is in principle capable to make it convergent. It is also shown that the convergence of the series is not very essential and that even divergent series can provide useful estimate of the exact result, particularly when the resummation techniques, such as Padè approximants or continued fractions, are employed. Finally, the shortcomings of the existing multi‐reference perturbation approaches, which Kaldor advocates, are pointed out.