Article ID Journal Published Year Pages File Type
5389004 Chemical Physics Letters 2007 7 Pages PDF
Abstract
A scheme is suggested to approximately quantize a V-R distribution from QCT calculations and account for ZPE leakage as illustrated for a A + BC reaction.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamics
Authors
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