Multigrid solver for the reference interaction site model of molecular liquids theory

Journal of Computational Chemistry

Volumn 32, Issue 9, 2011, Pages 1982-1992

  Sergiievskyi, Volodymyr P ^a   Hackbusch, Wolfgang ^a   Fedorov, Maxim V ^a  

^a MAX PLANCK INSTITUTE FOR MATHEMATICS IN THE SCIENCES   (Germany)

Author keywords

hydration free energy; integral equation theory; multigrid; RISM

Indexed keywords

COMPUTATIONAL EXPENSE; HYDRATION FREE ENERGIES; INTEGRAL EQUATION THEORY; ITERATION METHOD; MOLECULAR LIQUIDS; MULTI-GRID; MULTIGRID SOLVER; NONPOLAR COMPOUNDS; NUMERICAL ACCURACY; NUMERICAL TESTS; OPTIMAL SETS; PICARD ITERATION; REFERENCE INTERACTION SITE MODELS; RISM;

ALGORITHMS; FREE ENERGY; HYDRATION; INTEGRAL EQUATIONS; NUMERICAL METHODS;

ITERATIVE METHODS;

EID: 79955483634     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21783     Document Type: Article

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