A general framework for discrete variable representation basis sets

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

Research output: Contribution to journalArticle

96 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 languageEnglish
Pages (from-to)8691-8703
Number of pages13
JournalJournal of Chemical Physics
Volume116
Issue number20
DOIs
StatePublished - May 22 2002

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