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Vibrational energy levels for CH4 from an ab initio potentialMany areas of astronomy and astrophysics require an accurate high temperature spectrum of methane (CH4). The goal of the present research is to determine an accurate ab initio potential energy surface (PES) for CH4. As a first step towards this goal, we have determined a PES including up to octic terms. We compare our results with experiment and to a PES based on a quartic expansion. Our octic PES gives good agreement with experiment for all levels, while the quartic PES only for the lower levels.
Document ID
20040112452
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Schwenke, D. W.
(NASA Ames Research Center Moffett Field CA United States)
Partridge, H.
Date Acquired
August 21, 2013
Publication Date
March 15, 2001
Publication Information
Publication: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Volume: 57
Issue: 4
ISSN: 1386-1425
Subject Category
Life Sciences (General)
Distribution Limits
Public
Copyright
Other

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