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

Robert C. Forrey, Robert Nyden Hill, and Ramesh D. Sharma
Phys. Rev. A 52, 2948 – Published 1 October 1995
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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 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.

  • Received 23 May 1995

DOI:https://doi.org/10.1103/PhysRevA.52.2948

©1995 American Physical Society

Authors & Affiliations

Robert C. Forrey

  • Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, Massachusetts 02138

Robert Nyden Hill

  • Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716

Ramesh D. Sharma

  • Phillips Laboratory (GPOS), Hanscom Air Force Base, Massachusetts 01731

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Vol. 52, Iss. 4 — October 1995

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