Nudged-elastic band method with two climbing images: Finding transition states in complex energy landscapes
Author:
Affiliation:
1. Ames Laboratory, U.S. Department of Energy, Ames, Iowa 50011-3020, USA
2. Department of Materials Science & Engineering, Iowa State University, Ames, Iowa 50011-2300, USA
Funder
U.S. Department of Energy (DOE)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4905209
Reference13 articles.
1. A climbing image nudged elastic band method for finding saddle points and minimum energy paths
2. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
3. A generalized solid-state nudged elastic band method
4. Reversible work transition state theory: application to dissociative adsorption of hydrogen
5. Nudged elastic band method for finding minimum energy paths of transitions
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