Calculation of the vibrational levels of electronically excited Ar-OH(A2Σ+) using a proposed potential energy surface and analytic discrete variable representations

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Abstract

The vibrational levels of a potential energy surface recently proposed by Bowman et al. [J. Phys. Chem. 1990, 94, 2226] for the electronically excited van der Waals complex Ar-OH(A2Σ+) are calculated by using analytic discrete variable representations. The results, together with those of previous calculations and with experimental spectroscopic data on vibrational band origins, are used to suggest further refinements in the potential energy function.

Original languageEnglish
Pages (from-to)8293-8299
Number of pages7
JournalJournal of Physical Chemistry
Volume95
Issue number21
Publication statusPublished - 1991

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Potential energy functions
Potential energy surfaces
potential energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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title = "Calculation of the vibrational levels of electronically excited Ar-OH(A2Σ+) using a proposed potential energy surface and analytic discrete variable representations",
abstract = "The vibrational levels of a potential energy surface recently proposed by Bowman et al. [J. Phys. Chem. 1990, 94, 2226] for the electronically excited van der Waals complex Ar-OH(A2Σ+) are calculated by using analytic discrete variable representations. The results, together with those of previous calculations and with experimental spectroscopic data on vibrational band origins, are used to suggest further refinements in the potential energy function.",
author = "Y. Guan and James Muckerman",
year = "1991",
language = "English",
volume = "95",
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journal = "Journal of Physical Chemistry",
issn = "0022-3654",
publisher = "American Chemical Society",
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AB - The vibrational levels of a potential energy surface recently proposed by Bowman et al. [J. Phys. Chem. 1990, 94, 2226] for the electronically excited van der Waals complex Ar-OH(A2Σ+) are calculated by using analytic discrete variable representations. The results, together with those of previous calculations and with experimental spectroscopic data on vibrational band origins, are used to suggest further refinements in the potential energy function.

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