Reaction rate calculations via transmission coefficients
Description:
The transmission coefficient of a wavepacket traversing a potential barrier can be determined by steady state calculations carried out in imaginary time instead of by real time dynamical calculations. The general argument is verified for the Eckart barrier potential by a comparison of transmission coefficients calculated from real and imaginary time solutions of the Schroedinger equation. The correspondence demonstrated here allows a formulation for the reaction rate that avoids difficulties du…
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Date:
July 11, 1985
Creator:
Feit, M. D. & Alder, B. J.
Item Type:
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Partner:
UNT Libraries Government Documents Department