Article ID Journal Published Year Pages File Type
5389719 Chemical Physics Letters 2006 8 Pages PDF
Abstract
The basic scheme drawing the relation between the steepest-descent curve-line with the theory of Hamilton-Jacobi equation, which is the ground of the proposed algorithm to integrate the intrinsic reaction coordinate path.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
On the implementation of the Runge-Kutta-Fehlberg algorithm to integrate intrinsic reaction coordinate paths
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