Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

Journal of Chemical Physics

Volumn 113, Issue 22, 2000, Pages 9978-9985

  Henkelman, Graeme ^a   Jónsson, Hannes ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DIFFUSION IN GASES; ELASTICITY TESTING; PHASE TRANSITIONS;

DENSITY FUNCTIONAL THEORY (DFT); NUDGED ELASTIC BAND (NEB) METHOD;

SURFACE PHENOMENA;

EID: 1242329035     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1323224     Document Type: Article

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