Browsing Kjemisk institutt by Author "Remigio Eikås, Roberto Di"

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  • Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework 
    Gerez Sazo, Gabriel Adolfo; Remigio Eikås, Roberto Di; Jensen, Stig Rune; Bjørgve, Magnar; Frediani, Luca (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    We present a multiwavelet-based implementation of a quantum/classical polarizable continuum model. The solvent model uses a diffuse solute–solvent boundary and a position-dependent permittivity, lifting the sharp-boundary ...