Molecular Response Functions for the Polarizable Continuum Model

Physical basis and quantum mechanical formalism

  • Roberto┬áCammi

Table of contents

  1. Front Matter
    Pages i-xvi
  2. Roberto Cammi
    Pages 1-11
  3. Back Matter
    Pages 47-58

About this book

Introduction

This brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devoted (i) to the description of the basic features of the PCM model, and (ii) to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules.

Keywords

Ab-initio Electronic Structure Methods Continuum Solvation Models Density Functional Theory Molecular Response Functions PCM Polarizable Continuum Model RFT Response Functions Theory

Authors and affiliations

  • Roberto┬áCammi
    • 1
  1. 1.Department of ChemistryUniversity of ParmaParmaItaly

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-319-00987-2
  • Copyright Information The Author(s) 2013
  • Publisher Name Springer, Cham
  • eBook Packages Chemistry and Materials Science
  • Print ISBN 978-3-319-00986-5
  • Online ISBN 978-3-319-00987-2
  • Series Print ISSN 2191-5407
  • Series Online ISSN 2191-5415
  • About this book
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