Accelerated, energy-conserving Born-Oppenheimer molecular dynamics via Fock matrix extrapolation

Physical Chemistry Chemical Physics

Volumn 7, Issue 18, 2005, Pages 3269-3275

  Herbert, John M ^a   Head Gordon, Martin ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; STATISTICAL MODEL; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, STATISTICAL; THERMODYNAMICS;

EID: 26444575958     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b509494a     Document Type: Article

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