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Fourier transform approach to potential harmonics
Author(s) -
Avery John,
Bian Wensheng,
Loeser John,
Antonsen Frank
Publication year - 1997
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/(sici)1097-461x(1997)63:1<5::aid-qua3>3.0.co;2-#
Subject(s) - harmonics , fourier transform , discrete fourier transform (general) , physics , short time fourier transform , fourier analysis , quantum mechanics , voltage
Because of the high degeneracy of hyperspherical harmonics, a method is needed for selecting the most important ones for inclusion in hyperangular basis sets. Such a method was developed by M. Fabre de la Ripelle, who showed that the most important harmonics are λ‐projections of the product of the potential and a zeroth‐order wave function; and he gave these the name, “potential harmonics.” In the present study we develop Fourier‐transform‐based methods for generating potential harmonics and for evaluating matrix elements between them. These methods are illustrated by a small calculation on three‐body Coulomb systems with a variety of mass ratios. © 1997 John Wiley & Sons, Inc.