Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method

Journal of Chemical Physics

Volumn 136, Issue 14, 2012, Pages

  Ojanperä, Ari ^a   Havu, Ville ^a   Lehtovaara, Lauri ^b   Puska, Martti ^a  

^a AALTO UNIVERSITY   (Finland)

^b UNIVERSITÉ LYON 1   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DISCRETIZATIONS; EHRENFEST; HYDROGEN BOMBARDMENT; NON-ADIABATIC; REAL-SPACE; TIME-DEPENDENT;

HYDROGEN; SODIUM CHLORIDE;

MOLECULAR DYNAMICS;

EID: 84860014860     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3700800     Document Type: Article

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