Climbing image nudged elastic band method for finding saddle points and minimum energy paths

Journal of Chemical Physics

Volumn 113, Issue 22, 2000, Pages 9901-9904

  Henkelman, Graeme ^a   Uberuaga, Blas P ^a   Jónsson, Hannes ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; DISSOCIATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS;

ENERGY PATHS; NUDGED ELASTIC BAND (NEB) METHODS; SADDLE POINTS;

MOLECULAR DYNAMICS;

EID: 0034513054     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1329672     Document Type: Article

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