Paths to which the nudged elastic band converges

Journal of Computational Chemistry

Volumn 32, Issue 8, 2011, Pages 1769-1771

  Sheppard, Daniel ^a   Henkelman, Graeme ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

gradient extremal path; minimum energy path; nudged elastic band; saddle points; steepest descent paths

Indexed keywords

EXTREMAL; MINIMUM ENERGY PATHS; NUDGED ELASTIC BAND; SADDLE POINT; STEEPEST-DESCENT PATHS;

OPTIMIZATION; POTENTIAL ENERGY; QUANTUM CHEMISTRY; REACTION KINETICS;

STEEPEST DESCENT METHOD;

EID: 79953763052     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21748     Document Type: Article

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