Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions

Journal of Chemical Physics

Volumn 113, Issue 24, 2000, Pages 10913-10927

  Toukmaji, Abdulnour ^a,c   Sagui, Celeste ^b   Board, John ^a   Darden, Tom ^b  

^a Duke University   (United States)

^b NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES   (United States)

^c Advance Packaging Group   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; ELECTROSTATICS; ITERATIVE METHODS; MACROMOLECULES; MOLECULAR DYNAMICS; POTENTIAL ENERGY;

CAR-PARRINELLO (CP) TECHNIQUE; INDUCED DIPOLAR INTERACTIONS; LAGRANGIAN FORMALISMS; PARTICLE MESH EWALD (PME) METHOD;

QUANTUM THEORY;

EID: 0034506266     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1324708     Document Type: Article

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