title: A new discretization for the polarizable continuum model within the domain decomposition paradigm.
abstract: We present a new algorithm to solve the polarizable continuum model equation in a framework compatible with the strategy previously developed by us for the conductor-like screening model based on Schwarz's domain decomposition method (ddCOSMO). The new discretization is systematically improvable and is fully consistent with ddCOSMO so that it reproduces ddCOSMO results for large dielectric constants.
authors: Sorbonne Universités, UPMC Univ Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005 Paris, France.
authors: Benjamin
authors: B
authors: Stamm
authors: Université Paris-Est, CERMICS, Ecole des Ponts and INRIA, 6 & 8 avenue Blaise Pascal, 77455 Marne-la-Vallée Cedex 2, France.
authors: Eric
authors: E
authors: Cancès
authors: Institut für Physikalische Chemie, Universität Mainz, Duesbergweg 10-14, D55128 Mainz, Germany.
authors: Filippo
authors: F
authors: Lipparini
authors: Sorbonne Universités, UPMC Univ Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005 Paris, France.
authors: Yvon
authors: Y
authors: Maday