Spherical tensor multipolar electrostatics and smooth particle mesh Ewald summation: A theoretical study

Journal of Molecular Modeling

Volumn 20, Issue 7, 2014, Pages

  Zielinski, François ^a   Popelier, Paul L A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Electrostatics; Ewald summation; Force field; Molecular dynamics; Multipole moments; Smooth particle mesh Ewald; Spherical harmonics

Indexed keywords

ARTICLE; CHEMICAL ENVIRONMENT; MACHINE LEARNING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; SMOOTH PARTICLE MESH EWALD SUMMATION; STATIC ELECTRICITY; THEORETICAL STUDY;

EID: 84902905145     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2256-y     Document Type: Article

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