Collision-induced rototranslational absorption spectra of CH4-CH4 pairs at temperatures from 50 to 300 K

Statistics – Computation

Scientific paper

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Absorption Spectra, Methane, Molecular Collisions, Molecular Rotation, Molecular Spectra, Planetary Atmospheres, Computational Chemistry, Mathematical Models, Multipolar Fields, Quantum Chemistry, Quantum Mechanics, Satellite Atmospheres

Scientific paper

In previous work (Borysow and Frommhold, 1986) rigorous quantum computations of the rototranslational absorption spectra of CH4-CH4 pairs have been communicated which closely reproduce existing laboratory measurements at temperatures from 124 to 300 K and over a range of frequencies from 0 to 750 per cm. Since the computations are complex, this work shows how the spectra can be reproduced from simple, analytical functions that closely model the quantum profiles and, thus, the laboratory measurements. For temperatures from 50 to 300 K, the rototranslational, collision-induced spectra of methane pairs can thus be obtained accurately on small computers in seconds. No measurements exist for comparison with the computational results at the lower temperatures (less than 124 K) but these data are believed to constitute the most dependable theoretical prediction that can presently be made.

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