Direct Wolf summation of a polarizable force field for silica

Journal of Chemical Physics

Volumn 132, Issue 19, 2010, Pages

  Brommer, Peter ^a,c   Beck, Philipp ^a   Chatzopoulos, Andreas ^a   Gähler, Franz ^b   Roth, Johannes ^a   Trebin, Hans Rainer ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

^b BIELEFELD UNIVERSITY   (Germany)

^c UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EFFORT; DIPOLAR INTERACTION; ERROR TERMS; INTERATOMIC FORCES; LARGE SCALE SIMULATIONS; MICRO-STRUCTURAL; OXYGEN ATOM; POLARIZABLE FORCE FIELD; SELF-CONSISTENT SOLUTION; SYSTEM SIZE;

OXYGEN; THERMODYNAMIC PROPERTIES;

SILICA;

EID: 77952984002     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3396084     Document Type: Article

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