CONVERGED VARIATIONAL QUANTUM SCATTERING RESULTS FOR THE 3-DIMENSIONAL F+HD REACTION

The log derivative version of the Kohn variational principle is used to calculate J=0 reaction probabilities and state-to-state time delays for the F+HD reaction, on the T5A potential energy surface, in the total energy range Etot=0.236 to 0.350 eV. While the computed reaction probabilities to H+DF...

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Bibliographic Details
Main Authors: Manolopoulos, D, Dmello, M, Wyatt, R, Walker, R
Format: Journal article
Language:English
Published: 1990