Wavelet formulation of the polarizable continuum model

Journal of Computational Chemistry

Volumn 31, Issue 7, 2010, Pages 1469-1477

  Weijo, Ville ^a   Randrianarivony, Maharavo ^b   Harbrecht, Helmut ^b   Frediani, Luca ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

Algorithms; Galerkin methods; Interpolation; Linear complexity; PCM; Solvent effect; Sparse operators; Wavelets

Indexed keywords

ATOMS; COMPUTATIONAL EFFICIENCY; CONTINUUM MECHANICS; GALERKIN METHODS; INTEGRAL EQUATIONS; INTERPOLATION; PULSE CODE MODULATION;

CAVITY BOUNDARIES; CAVITY SURFACES; COMPUTATIONAL EXPENSE; COMPUTATIONAL TIME; DISCRETIZATION ERRORS; DISCRETIZATIONS; ELECTROSTATIC PROBLEMS; GENERAL PURPOSE; INTEGRAL EQUATION FORMALISMS; ITERATIVE SOLUTIONS; LINEAR COMPLEXITY; PCM; POLARIZABLE CONTINUUM MODEL; POTENTIAL INTEGRALS; SOLVENT EFFECTS; SYSTEM MATRICES; SYSTEM SIZE; WAVELET METHODS;

MATHEMATICAL OPERATORS;

EID: 84962408663     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21431     Document Type: Article

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