Efficient distributed Gaussian basis for rovibrational spectroscopy calculations

Bill Poirier, J. C. Light

Research output: Contribution to journalArticle

45 Scopus citations

Abstract

The effectiveness of the distributed Gaussian basis sets (DGB) was investigated by considering one-dimensional (1D) harmonic and Morse oscillator systems. It was found that the DGB configurations are very nonorthogonal but extremely efficient. It was also observed that the DGBs are relatively robust with respect to the exact placement of the Gaussian centers.

Original languageEnglish
Pages (from-to)211-217
Number of pages7
JournalJournal of Chemical Physics
Volume113
Issue number1
DOIs
StatePublished - Jul 1 2000

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