Modified ehrenfest formalism for efficient large-scale ab initio molecular dynamics

Journal of Chemical Theory and Computation

Volumn 5, Issue 4, 2009, Pages 728-742

  Andrade, Xavier ^a   Castro, Alberto ^b   Zueco, David ^c   Alonso, J L ^d   Echenique, Pablo ^d   Falceto, Fernando ^d   Rubio, Ángel ^a  

^a DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

^c UNIVERSITY OF AUGSBURG   (Germany)

^d UNIVERSITY OF ZARAGOZA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 65249161145     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct800518j     Document Type: Article

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