Efficient and accurate car-parrinello-like approach to born-oppenheimer molecular dynamics

Physical Review Letters

Volumn 98, Issue 6, 2007, Pages

  Kühne, Thomas D ^a   Krack, Matthias ^a   Mohamed, Fawzi R ^a   Parrinello, Michele ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRIC INSULATORS; PROBABILITY DENSITY FUNCTION; SEMICONDUCTOR MATERIALS;

BORN-OPPENHEIMER MOLECULAR DYNAMICS; CONDENSED PHASES; DENSITY FUNCTIONAL THEORY;

MOLECULAR DYNAMICS;

EID: 33846891132     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.98.066401     Document Type: Article

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