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L 2 discretization of Sturmian wave functions for Coulomb‐like potentials
Author(s) -
Frapiccini A. L.,
Gonzalez V. Y.,
Randazzo J. M.,
Colavecchia F. D.,
Gasaneo G.
Publication year - 2006
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.21220
Subject(s) - laguerre polynomials , wave function , eigenvalues and eigenvectors , coulomb , basis function , discretization , mathematics , closure (psychology) , mathematical physics , orthogonality , schrödinger equation , physics , quantum mechanics , completeness (order theory) , basis (linear algebra) , electron , mathematical analysis , geometry , economics , market economy
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 Schrödinger equation for an active electron in a He‐like system. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007