Bound and unbound rovibrational states of the methane-argon dimer
Chemical Physics
2019-06-26 v1
Abstract
Peculiarities of the intermolecular rovibrational quantum dynamics of the methane-argon complex are studied using a new, ab initio potential energy surface [Y. N. Kalugina, S. E. Lokshtanov, V. N. Cherepanov, and A. A. Vigasin, J. Chem. Phys. 144, 054304 (2016)], variational rovibrational computations, and detailed symmetry considerations within the molecular symmetry group of this floppy complex as well as within the point groups corresponding to the local minimum structures. The computed (ro)vibrational states up to and beyond the dissociation asymptote are characterized using two limiting models: the rigidly rotating molecule's model and the coupled-rotor model of the rigidly rotating methane and an argon atom orbiting around it.
Keywords
Cite
@article{arxiv.1811.01825,
title = {Bound and unbound rovibrational states of the methane-argon dimer},
author = {Dávid Ferenc and Edit Mátyus},
journal= {arXiv preprint arXiv:1811.01825},
year = {2019}
}