Simulations of non-neutral slab systems with long-range electrostatic interactions in two-dimensional periodic boundary conditions

Journal of Chemical Physics

Volumn 131, Issue 9, 2009, Pages

  Ballenegger, V ^a   Arnold, A ^b   Cerda J J ^c  

^a UNIVERSITÉ DE FRANCHE COMTÉ   (France)

^b FRAUNHOFER INSTITUTE FOR ALGORITHMS AND SCIENTIFIC COMPUTING SCAI   (Germany)

^c UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AIR/WATER INTERFACES; CHARGE CORRECTION; CHARGE INTERACTIONS; CHARGED WALLS; D-PERIODICITY; DIELECTRIC INTERFACE; ELECTROSTATIC ENERGIES; ELECTROSTATIC INTERACTIONS; EWALD METHOD; LATTICE SUM; MADELUNG ENERGY; MEAN FORCES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SURFACES; NET CHARGES; NON-NEUTRAL; PERIODIC BOUNDARY CONDITIONS; REGULARIZATION PROCEDURE; SIMPLE SYSTEM; SLAB SYSTEMS; SODIUM IONS; TWO-DIMENSION;

DISSOCIATION; ELECTROSTATICS; METAL IONS; MOLECULAR DYNAMICS;

TWO DIMENSIONAL;

EID: 69949125088     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3216473     Document Type: Article

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