ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560280409
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