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The geometric minimum action method for computing minimum energy paths.
- Source :
-
Journal of Chemical Physics . 2/14/2008, Vol. 128 Issue 6, p061103. 4p. 2 Graphs. - Publication Year :
- 2008
-
Abstract
- An algorithm is proposed to calculate the minimum energy path (MEP). The algorithm is based on a variational formulation in which the MEP is characterized as the curve minimizing a certain functional. The algorithm performs this minimization using a preconditioned steepest-descent scheme with a reparametrization step to enforce a constraint on the curve parametrization. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 128
- Issue :
- 6
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 30050323
- Full Text :
- https://doi.org/10.1063/1.2833040