Total differential cross sections for Ar–CH4 from an ab initio potential

Abstract

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Intermolecular Potentials, Internal Motions, and Spectra of van der Waals and Hydrogen-Bonded Complexes

“…This potential has been shown to reproduce much of the experimental data that is currently available. In particular, for the total differential scattering cross sections of argon from methane, the results 97 obtained from this potential are in excellent agreement with experiment. Also, the rotationally inelastic integral cross sections 96 are generally in good agreement with the experimental values of Chapman et al 90 In refs 98 and 99 the spectrum for the binary Ar-CH 4 complex was reported and assigned.…”

The rotational and vibrational dynamics of argon–methane. I. A theoretical study

“…In addition, ab initio and semi-empirical potentials [32][33][34] have been developed for this system. In the most recent paper on the total differential scattering of argon from methane, the results obtained from recent ab initio potential calculations 35 have been shown to be in excellent agreement with experiment. In particular the position of the rainbow feature in the scattering cross section is well reproduced by the potential surface, suggesting that the corresponding well depth of the potential is realistic.…”

Vibrational Predissociation Dynamics of He−I2(B) Mediated by Orbiting Resonances

“…The spectroscopy and dynamics of van der Waals (vdW) rare-gas clusters doped with molecular impurities have been extensively studied during the last three decades. − Among these studies, the pioneering theoretical works of Benny Gerber and co-workers contributed remarkably to the progress of the field. − As a result of this extensive research, the behavior of these clusters is, at present, well understood in general. There are, however, some aspects that still require further detailed investigation.…”