Ewald summation of electrostatic multipole interactions up to the quadrupolar level

Journal of Chemical Physics

Volumn 119, Issue 14, 2003, Pages 7471-7483

  Aguado, Andrés ^a,b   Madden, Paul A ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; COMPUTER SIMULATION; ELECTRIC FIELD EFFECTS; ELECTRON ENERGY LEVELS; ELECTROSTATICS; IONS; LATTICE CONSTANTS; MOLECULAR STRUCTURE; PHONONS; PRESSURE EFFECTS;

ELECTROSTATIC MULTIPOLE INTERACTIONS; INTERATOMIC FORCES; PRESSURE TENSOR; QUADRUPOLAR LEVEL; QUADRUPOLE POLARIZABLE INTERACTION;

MOLECULAR DYNAMICS;

EID: 0142211229     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1605941     Document Type: Article

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