4.4 Article

L2 discretization of Sturmian wave functions for Coulomb-like potentials

Journal

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume 107, Issue 4, Pages 832-844

Publisher

WILEY
DOI: 10.1002/qua.21220

Keywords

Sturmian functions; Coulomb potential; Coulomb screened potential; Pollaczek polynomials

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In this work we introduce a method to construct Sturmian functions for general interaction potentials in two-body problems. We expand these Sturmians on a finite L-2 space, using N Laguerre basis functions to obtain a discrete set of eigenvalues for positive and negative energies. Orthogonality and closure relations are thus rewritten for these expansions; completeness is achieved through increasing the basis size. We apply the method to the Coulomb and Herman and Skillman potential. We study the behavior of the functions obtained and their convergence for an overall range of energies. The Sturmian functions are applied to solve the Schrodinger equation for an active electron in a He-like system. (c) 2006 Wiley Periodicals, Inc.

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