• Media type: E-Article
  • Title: Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements
  • Contributor: Bugeanu, Monica; Di Remigio, Roberto; Mozgawa, Krzysztof; Reine, Simen Sommerfelt; Harbrecht, Helmut; Frediani, Luca
  • imprint: Royal Society of Chemistry (RSC), 2015
  • Published in: Physical Chemistry Chemical Physics
  • Language: English
  • DOI: 10.1039/c5cp03410h
  • ISSN: 1463-9076; 1463-9084
  • Keywords: Physical and Theoretical Chemistry ; General Physics and Astronomy
  • Origination:
  • Footnote:
  • Description: <p>The sparsity pattern obtained in the wavelet Galerkin boundary element representation of the PCM boundary integral operators. By employing a wavelet basis on a smooth solvent-excluded molecular surface the method is able to guarantee solutions with high accuracy at a linear cost in memory and computational time.</p>