Search results for "Partition sum"

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The partition sum of methane at high temperature

2008

11 pages, 4 Tables, 3 Figures Computer code on line at http://icb.u-bourgogne.fr/JSP/TIPS.jsp; International audience; The total internal partition function of methane is revisited to provide reliable values at high temperature. A multi-resolution approach is used to perform a direct summation over all the rovibrational energy levels up to the dissociation limit. A computer code is executable on line at the URL : http://icb.u-bourgogne.fr/JSP/TIPS.jsp to allow the calculation of the partition sum of methane at temperatures up to 3000 K. It also provides detailed information on the density of states in the relevant spectral ranges. The recommended values include uncertainty estimates. It is …

Computational spectroscopyRovibrational spectroscopy33.20.Vq 33.70.Fd01 natural sciences[PHYS.PHYS.PHYS-AO-PH] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]MethaneDissociation (chemistry)chemistry.chemical_compound0103 physical sciencesSpectroscopy010303 astronomy & astrophysicsSpectroscopySpectroscopic databasesPhysics[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Radiation010304 chemical physicsPartition sumRotational–vibrational spectroscopyPartition function (mathematics)Atmospheric temperature rangeAtomic and Molecular Physics and OpticsComputational physicschemistry[ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Density of statesHITRANAtomic physicsMethane

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