PMID: 11345261May 10, 2001Paper

Vibrational energy levels for CH4 from an ab initio potential

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
D W Schwenke, H Partridge

Abstract

Many 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.

Citations

May 9, 2002·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Xiao-Gang Wang, Edwin L Sibert
Jun 16, 2006·Physical Chemistry Chemical Physics : PCCP·Steven A MansonGrant A Thomson
May 2, 2013·Physical Chemistry Chemical Physics : PCCP·Michaël ReyVladimir G Tyuterev
May 30, 2013·Physical Chemistry Chemical Physics : PCCP·A V NikitinM Quack
May 16, 2012·The Journal of Chemical Physics·P Cassam-Chenaï, J Liévin
Apr 10, 2009·The Journal of Chemical Physics·Edit MátyusAttila G Császár
Mar 22, 2013·The Journal of Chemical Physics·Xiao-Gang Wang, Tucker Carrington
Jul 2, 2009·The Journal of Chemical Physics·Andrei V NikitinJulien Fremont
Feb 18, 2006·The Journal of Chemical Physics·Chikako OyanagiKimihiko Hirao
Nov 9, 2010·The Journal of Chemical Physics·Roberto MarquardtFrédéric Le Quéré
Aug 3, 2014·The Journal of Chemical Physics·Michaël ReyVladimir G Tyuterev
May 12, 2015·Physical Chemistry Chemical Physics : PCCP·Hua-Gen Yu
Sep 17, 2016·The Journal of Chemical Physics·Alec OwensWalter Thiel
Aug 5, 2004·The Journal of Chemical Physics·Xiao-Gang Wang, Tucker Carrington
Jun 2, 2017·Physical Chemistry Chemical Physics : PCCP·János SarkaEdit Mátyus
Oct 17, 2017·The Journal of Chemical Physics·Gustavo Avila, Tucker Carrington
Jan 21, 2020·Physical Chemistry Chemical Physics : PCCP·Gustavo AvilaEdit Mátyus
Oct 4, 2018·The Journal of Chemical Physics·Andrei V NikitinVladimir G Tyuterev

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