A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

Cancès, Éric; Mennucci, Benedetta; Tomasi, J.

doi:10.1063/1.474659

Public

A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

Shared by NobleBlocks on Aug 22, 1997 • 12:00 AM UTC

Authors:

Éric Cancès

Benedetta Mennucci

J. Tomasi

Abstract

We present a new integral equation formulation of the polarizable continuum model (PCM) which allows one to treat in a single approach dielectrics of different nature: standard isotropic liquids, intrinsically anisotropic medialike liquid crystals and solid matrices, or ionic solutions. The present ...

Subject

Isotropy

Anisotropy

Integral equation

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