Simplistic Coulomb forces in molecular dynamics: Comparing the wolf and shifted-force approximations

Journal of Physical Chemistry B

Volumn 116, Issue 19, 2012, Pages 5738-5743

  Hansen, J S ^a   Schrøder, Thomas B ^a   Dyre, Jeppe C ^a  

^a ROSKILDE UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FUSED SALTS;

BULK SYSTEM; CONCEPTUAL SIMPLICITY; COULOMB FORCES; DAMPING PARAMETERS; DYNAMICAL PROPERTIES; EWALD SUMMATION METHOD; EWALD SUMMATIONS; LIQUID WATER; MOLTEN SALT; PARTICLE MESH EWALD METHODS; RADIAL DISTRIBUTION FUNCTIONS; ROOM TEMPERATURE;

MOLECULAR DYNAMICS;

EID: 84862096213     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp300750g     Document Type: Article

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