Open AccessTotal differential cross sections for Ar–CH4 from an ab initio potential
Author(s) -
Tino G. A. Heijmen,
Robert Moszyński,
Paul E. S. Wormer,
Ad van der Avoird,
U. Buck,
C. Steinbach,
Jeremy M. Hutson
Publication year - 1998
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.475894
Subject(s) - ab initio , ab initio quantum chemistry methods , perturbation theory (quantum mechanics) , differential (mechanical device) , scattering , physics , atomic physics , perturbation (astronomy) , symmetry (geometry) , coupling (piping) , molecular physics , materials science , molecule , quantum mechanics , mathematics , thermodynamics , geometry , metallurgy
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
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