ISSN:
0020-7608
Keywords:
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
