A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water

Journal of Chemical Physics

Volumn 118, Issue 24, 2003, Pages 10847-10860

  Mathias, Gerald ^a   Egwolf, Bernhard ^a   Nonella, Marco ^a   Tavan, Paul ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BOUNDARY CONDITIONS; COMPUTER SIMULATION; DIELECTRIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTROSTATICS; MATHEMATICAL MODELS; POLES AND ZEROS; THERMODYNAMIC PROPERTIES;

FAST MULTIPOLE METHODS (FMM);

MOLECULAR DYNAMICS;

EID: 0038455935     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1574774     Document Type: Article

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