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Journal of Chemical Physics

Volumn 116, Issue 1, 2002, Pages 14-24

How well do Car-Parrinello simulations reproduce the Born-Oppenheimer surface? Theory and examples

(2) Tangney, P a,b,c Scandolo, S a,b,c

a Princeton University (United States)

b SISSA (Italy)

c INFM (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRONS; GROUND STATE; IONS; MAGNESIA; MATHEMATICAL MODELS; MOLTEN MATERIALS;

CAR-PARRINELLO FORCES; ELECTRON ION COUPLING; ELECTRON MASS;

QUANTUM THEORY;

EID: 0036143736 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1423331 Document Type: Article

Times cited : (113)

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