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Padé approximants and the convergence problem in the perturbation theory of intermolecular interactions

✍ Scribed by Bogumił Jeziorski; Krzysztof Szalewicz; Michał Jaszuński

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
437 KB
Volume
61
Category
Article
ISSN
0009-2614

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✦ Synopsis

Psdd approximnnts are applied to improve the convergence of various perturbation expansrons for the enemy of n groundstate hydrogen atom intemcting with ;t proton. It is observed that the convergence defects of the Rayleigh-Schrodiager (RS) polarization and g mmetrized RS polarization expansions nre not removed by the application of the Pede procedure. On the other hand_ Pad& approximants for the Murrell-Shaw-Musher-Amos expnnsion exhrbit ewe!ient convergence to the e\sct enerq. despite the divergence of the original series for the antisymmetric 2poru state. for the perturbation formltlisms employing stronger symmetry. forcing the convergence of PzxdC approGm;mts turns out to be much faster than the conrergence of the corresponding perturbntion expansions.

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✍ Klaus Dietz; Christoph Schmidt; Markus Warken; Bernd A. Hess 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 474 KB

We recently proposed (parts I and II' of this series of publications) a new method of infinite subsummation in the Mlrller-Plesset perturbation series with the objective of "effecting wnvergenee of otherwise divergent series". In the present work we undertake to study the importance of a shift of un