Rotational Energy Transfer in H2+H2
Chemical Physics
2009-11-11 v1 Atomic and Molecular Clusters
Abstract
Quantum-mechanical close-coupling calculations for state-to-state cross sections and thermal rates are reported for H2+H2 collisions. Two recently developed potential energy surfaces (PES) for the H2-H2 system are applied, namely, the global potential surface from the work of A.I. Boothroyd, P.G. Martin, W.J. Keogh, M.J. Peterson, J. Chem. Phys., 116 (2002) 666, and a restricted, model surface from the works of P. Diep, J.K. Johnson, J. Chem. Phys., 113 (2000) 3480; ibid. 112, 4465. The low temperature limit is investigated. We found significant differences in cross sections and corresponding thermal rates calculated with these two PESs.
Keywords
Cite
@article{arxiv.physics/0605202,
title = {Rotational Energy Transfer in H2+H2},
author = {Renat A. Sultanov and Dennis Guster},
journal= {arXiv preprint arXiv:physics/0605202},
year = {2009}
}
Comments
4 Figures, 1 Table