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[en] The applicability of the fixed-nuclei approximation to the rotational excitation of a diatomic molecule by an atom is investigated. The approximation is shown to predict accurate quantum cross sections for the model system H2 + N2 at thermal collision energies. A quasi-classical Monte-Carlo study of the same problem is also performed, and the success of the fixed-nuclei approximation is interpreted by investigating in detail a number of coplanar classical trajectories. (Auth.)
Journal
Chemical Physics Letters; ISSN 0009-2614; 
; v. 59(1); p. 129-132
; v. 59(1); p. 129-132