Browsing Kjemisk institutt by Author "Harbrecht, Helmut"

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  • Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements 
    Bugeanu, Monica; Di Remigio, Roberto; Mozgawa, Krzysztof; Reine, Simen Sommerfelt; Harbrecht, Helmut; Frediani, Luca (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
    The simplicity of dielectric continuum models has made them a standard tool in almost any Quantum Chemistry (QC) package. Despite being intuitive from a physical point of view, the actual electrostatic problem at the cavity ...