Basin constrained κ-dimer method for saddle point finding

Journal of Chemical Physics

Volumn 141, Issue 16, 2014, Pages

  Xiao, Penghao ^a   Wu, Qiliang ^b   Henkelman, Graeme ^a  

^a The University of Texas at Austin   (United States)

^b MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GEOMETRY;

DIMER METHOD; DIRECTIONAL CURVATURE; HARMONIC APPROXIMATION; INITIAL STATE; LOCAL INFORMATION; NEGATIVE CURVATURE; RATE OF ESCAPES; TRANSITION STATE THEORIES;

DIMERS;

EID: 84908441437     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4898664     Document Type: Article

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