Molecular Response Functions for the Polarizable Continuum Model, 1st Edition

  • Published By:
  • ISBN-10: 3319009877
  • ISBN-13: 9783319009872
  • DDC: 541.28
  • Grade Level Range: College Freshman - College Senior
  • 58 Pages | eBook
  • Original Copyright 2013 | Published/Released May 2014
  • This publication's content originally published in print form: 2013

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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 to the description of the basic features of the PCM model, and to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules.

Table of Contents

Front Cover.
Half Title Page.
Title Page.
Copyright Page.
1: The PCM Model.
2: Analytical Derivatives Theory for Molecular Solutes.
3: General Response Theory for the Polarizable Continuum Model.
4: Excitation Energies and Transition Moments from the PCM Linear Response Functions.
Appendix A.