Non-Linear Optical Properties of Matter From Molecules to Condensed
Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases attempts to draw together both theory and application in this field. As such it will be of interest to both experimentalists and theoreticians alike. Divided into two parts, Part
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Non-Linear Optical Properties of Matter From Molecules to Condensed Phases Edited by Manthos G. Papadopoulos, Andrzej J. Sadlej and Jerzy Leszczynski Series Editor Jerzy Leszczynski
Non-Linear Optical Properties of Matter
CHALLENGES AND ADVANCES IN COMPUTATIONAL CHEMISTRY AND PHYSICS Volume 1
Series Editor:
JERZY LESZCZYNSKI Department of Chemistry, Jackson State University, U.S.A.
Non-Linear Optical Properties of Matter From Molecules to Condensed Phases Edited by
Manthos G. Papadopoulos National Hellenic Research Foundation, Greece
Andrzej J. Sadlej Nicolaus Copernicus University, Poland
and Jerzy Leszczynski Jackson State University, USA
A C.I.P. Catalogue record for this book is available from the Library of Congress.
ISBN-10 ISBN-13 ISBN-10 ISBN-13
1-4020-4849-1 (HB) 978-1-4020-4849-4 (HB) 1-4020-4850-5 (e-book) 978-1-4020-4851-3 (e-book)
Published by Springer, P.O. Box 17, 3300 AA Dordrecht, The Netherlands. www.springer.com
Printed on acid-free paper
All Rights Reserved © 2006 Springer No part of this work may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, electronic, mechanical, photocopying, microfilming, recording or otherwise, without written permission from the Publisher, with the exception of any material supplied specifically for the purpose of being entered and executed on a computer system, for exclusive use by the purchaser of the work.
CONTENTS
Preface Manthos G. Papadopoulos, Jerzy Leszczynski and Andrzej J. Sadlej
ix
Introduction Mark A. Ratner
xv
1.
Microscopic Theory of Nonlinear Optics Patrick Norman and Kenneth Ruud
2.
Accurate Nonlinear Optical Properties for Small Molecules Ove Christiansen, Sonia Coriani, Jürgen Gauss, Christof Hättig, Poul Jørgensen, Filip Pawłowski, and Antonio Rizzo
3.
Determination of Vibrational Contributions to Linear and Nonlinear Optical Properties B. Kirtman and J.M. Luis
4.
SOS Methods in Calculations of Electronic NLO Properties Wojciech Bartkowiak and Robert Zale´sny
5.
Kohn–Sham Time-Dependent Density Functional Theory with Applications to Linear and Nonlinear Properties Dan Jonsson, Olav Vahtras, Branislav Jansik, Zilvinas Rinkevicius, Paweł Sałek, and Hans Ågren
6.
7.
8.
1
51
101
129
151
Non-Linear Pulse Propagation in Many-Photon Active Isotropic Media A. Baev, S. Polyutov, I. Minkov, F. Gel’mukhanov and H. Ågren
211
Collective and Cooperative Phenomena in Molecular Functional Materials Anna Painelli and Francesca Terenziani
251
Multiconfigurational Self-Consistent Field-Molecular Mechanics Response Methods Kurt V. Mikkelsen v
283
vi 9.
Contents Solvatochromism and Nonlinear Optical Properties of Donor-Acceptor -Conjugated Molecules Wojciech Bartkowiak
10. Symmetry Based Approach to the Evaluation of Second Order NLO Properties of Carbon Nanotubes L. De Dominicis and R. Fantoni 11. Atomistic Molecular Modeling of Electric Field Poling of Nonlinear Optical Polymers Megan
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