A super-linear minimization scheme for the nudged elastic band method

Journal of Chemical Physics

Volumn 119, Issue 24, 2003, Pages 12708-12717

  Chu, Jhih Wei ^a   Trout, Bernhardt L ^a   Brooks, Bernard R ^b  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; ELASTICITY; ELECTRON TRANSITIONS; ISOMERIZATION; MACROMOLECULES; MOLECULAR DYNAMICS; OXIDATION; PROTEINS; REACTION KINETICS; SULFUR COMPOUNDS;

ADOPTED BASIS NEWTON-RAPHSON; ALANINE DIPEPTIDE; ALPHA HELIX TRANSITIONS; MINIMUM ENERGY PATH; NUDGED ELASTIC BAND METHOD; SUPER LINEAR MINIMIZATION;

BAND STRUCTURE;

EID: 0942268404     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1627754     Document Type: Article

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