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Exact quantum dynamics background of dispersion interactions: case study for CH\(_4\cdot\)Ar in full (12) dimensions

By Gustavo Avila and others
A full-dimensional \emph{ab initio} potential energy surface of spectroscopic quality is developed for the van-der-Waals complex of a methane molecule and an argon atom. Variational vibrational states are computed on this surface including all twelve (12) vibrational degrees of freedom of the methane-argon complex using the GENIUSH computer program and... Show more
January 10, 2020
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Exact quantum dynamics background of dispersion interactions: case study for CH$_4\cdot$Ar in full (12) dimensions
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