Convergence of the multipole expansion for 1,2 Coulomb interactions: The modified multipole shifting algorithm

Journal of Chemical Physics

Volumn 132, Issue 19, 2010, Pages

  Solano, C J F ^a   Pendás, A Martín ^a   Francisco, E ^a   Blanco, M A ^a   Popelier, P L A ^b  

^a UNIVERSITY OF OVIEDO   (Spain)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC MULTIPOLE MOMENTS; BONDED ATOM; CLOSE PROXIMITY; FORCE FIELDS; MULTIPOLAR EXPANSION; MULTIPOLE EXPANSIONS; MULTIPOLES; POINT CHARGE; QUANTUM CHEMICAL; QUANTUM THEORY OF ATOMS IN MOLECULES; SPECIAL ALGORITHMS;

ALGORITHMS; CONVERGENCE OF NUMERICAL METHODS; COULOMB INTERACTIONS; QUANTUM THEORY;

ATOMS;

ALGORITHM; ARTICLE; QUANTUM THEORY; STATIC ELECTRICITY;

ALGORITHMS; QUANTUM THEORY; STATIC ELECTRICITY;

EID: 77952994877     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3430523     Document Type: Article

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