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

Heijmen, T. G. A.; Moszynski, R.; Wormer, P. E. S.; van der Avoird, A.; Buck, U.; Steinbach, C.; Hutson, J. M.

Abstract

Total differential cross sections for the Ar–CH4 scattering complex at ECM=90.1 meV were obtained from converged close-coupling calculations based on a recent ab initio potential computed by symmetry-adapted perturbation theory (SAPT). Agreement with experiment is good, which demonstrates the accuracy of the SAPT potential.

Citation

Heijmen, T. G. A., Moszynski, R., Wormer, P. E. S., van der Avoird, A., Buck, U., Steinbach, C., & Hutson, J. M. (1998). Total differential cross sections for Ar–CH4 from an ab initio potential. The Journal of Chemical Physics, 108(12), 4849-4853. https://doi.org/10.1063/1.475894

• Journal Article Type: Article
• Acceptance Date: Dec 16, 1997
• Publication Date: Mar 22, 1998
• Deposit Date: Jun 24, 2013
• Publicly Available Date: Aug 19, 2015
• Journal: Journal of Chemical Physics
• Print ISSN: 0021-9606
• Electronic ISSN: 1089-7690
• Publisher: American Institute of Physics
• Peer Reviewed: Peer Reviewed
• Volume: 108
• Issue: 12
• Pages: 4849-4853
• DOI: https://doi.org/10.1063/1.475894
• Public URL: https://durham-repository.worktribe.com/output/1473272