Convergence acceleration for the Kohn variational method in the presence of a long-range interaction

Robert C. Forrey, Robert Nyden Hill, Ramesh D. Sharma

Research output: Contribution to journalArticle

Abstract

This paper presents a distorted-wave generalization of the S-matrix version of the Kohn variational principle developed by Zhang, Chu, and Miller [J. Chem. Phys. 88, 10 (1988)]. For scattering in the presence of a long-range interaction, the large-r asymptotic solution to the Schrödinger equation is built into the Kohn variational principle order by order in an effort to accelerate the convergence of the short-range square integrable part of the basis-set expansion. The improvement in the rate of convergence is demonstrated by applying the method to a long-range model potential. Multichannel scattering is discussed.

Original languageEnglish (US)
Pages (from-to)2948-2954
Number of pages7
JournalPhysical Review A
Volume52
Issue number4
DOIs
StatePublished - Jan 1 1995

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variational principles
scattering
interactions
expansion
matrices

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

Cite this

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abstract = "This paper presents a distorted-wave generalization of the S-matrix version of the Kohn variational principle developed by Zhang, Chu, and Miller [J. Chem. Phys. 88, 10 (1988)]. For scattering in the presence of a long-range interaction, the large-r asymptotic solution to the Schr{\"o}dinger equation is built into the Kohn variational principle order by order in an effort to accelerate the convergence of the short-range square integrable part of the basis-set expansion. The improvement in the rate of convergence is demonstrated by applying the method to a long-range model potential. Multichannel scattering is discussed.",
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Convergence acceleration for the Kohn variational method in the presence of a long-range interaction. / Forrey, Robert C.; Hill, Robert Nyden; Sharma, Ramesh D.

In: Physical Review A, Vol. 52, No. 4, 01.01.1995, p. 2948-2954.

Research output: Contribution to journalArticle

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