Extension of adaptive tree code and fast multipole methods to high angular momentum particle charge densities

Journal of Computational Chemistry

Volumn 29, Issue 12, 2008, Pages 1895-1904

  Giese, Timothy J ^a   York, Darrin M ^a  

^a University of Minnesota   (United States)

Author keywords

Electrostatics; Fast multiple method; Linear scaling

Indexed keywords

ADAPTIVE DECOMPOSITION; ADAPTIVE TREE; ELECTROSTATIC INTERACTIONS; ERROR TOLERANCE (ET); FAST MULTIPOLE METHOD (FMM); MESSENGER RNAS; MOLECULAR SIMULATIONS; MULTIPOLE; OPTIMAL PERFORMANCES; PARTICLE CHARGING; PARTICLE DISTRIBUTIONS; PARTICLE SETS; POLARIZABLE FORCE FIELD (PFF); QUADRUPOLE; QUANTUM MECHANICAL/MOLECULAR MECHANICAL (QM/MM); SPEED UPS; STOCHASTIC BOUNDARIES; SYSTEM SIZES; TARGET APPLICATION; TERMINATION CRITERIA; VARIABLE SHAPE; WATER SYSTEMS;

CODES (STANDARDS); CODES (SYMBOLS);

EIGENVALUES AND EIGENFUNCTIONS;

ARTICLE; BIOLOGY; CHEMISTRY; ELECTRICITY; EVALUATION; MACROMOLECULE; PARTICLE SIZE; RIBOSOME; THEORETICAL MODEL;

COMPUTATIONAL BIOLOGY; ELECTROSTATICS; MACROMOLECULAR SUBSTANCES; MODELS, THEORETICAL; PARTICLE SIZE; RIBOSOMES;

EID: 47549114058     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20946     Document Type: Article

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