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The reduced partitioning procedure revisited
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Physical Chemistry. Department of Physical and Analytical Chemistry, Quantum Chemistry. Avdelningen för kvantkemi.
2005 (English)In: Molecular Physics, Vol. 103, no 15-16, 2073-2080 p.Article in journal (Refereed) Published
Abstract [en]

A review. The present article reports on the inherent connections between perturbation and variation theories known as the Reduced Partitioning Procedure. The topic formed the basis for the PhD thesis of Rodney J. Bartlett. In this work he analyzed the interrelations between current (at the time) perturbation and variational theories, with particular ref. to the Lanczos algorithm, the Krylov vectors, Hankel determinants as well as inferences from the Pade-Stieltjes moment problem and assocd. Lippman-Schwinger-type principles. Numerical computations for small mol. systems displayed rapid convergence, in excellent agreement with the deduced optimal properties of the method.

Place, publisher, year, edition, pages
2005. Vol. 103, no 15-16, 2073-2080 p.
URN: urn:nbn:se:uu:diva-74886OAI: oai:DiVA.org:uu-74886DiVA: diva2:102796
Available from: 2006-02-27 Created: 2006-02-27 Last updated: 2011-01-11

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