A general framework for discrete variable representation basis sets

Robert G. Littlejohn; Matthew Cargo; Tucker Carrington; Kevin A. Mitchell; Bill Poirier

doi:10.1063/1.1473811

A general framework for discrete variable representation basis sets

Robert G. Littlejohn, Matthew Cargo, Tucker Carrington, Kevin A. Mitchell, Bill Poirier

Chemistry and Biochemistry

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117 Scopus citations

Abstract

A framework for discrete variable representation (DVR) basis sets suitable for multidimensional generalizations was developed. The axiomatization of the DVR construction places projection operators in a central role and integrates semiclassical and phase space concepts into the basic framework. A discussion of nonorthogonal generalizations of DVR functions was also presented. It was shown that projected δ-functions and interpolating functions form a biorthogonal basis.

Original language	English
Pages (from-to)	8691-8703
Number of pages	13
Journal	Journal of Chemical Physics
Volume	116
Issue number	20
DOIs	https://doi.org/10.1063/1.1473811
State	Published - May 22 2002

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A general framework for discrete variable representation basis sets

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