Frontiers of Chemical Dynamics PDF
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Frontiers of Chemical Dynamics NATO ASI Series Advanced Science Institutes Series A Series presenting the results of activities sponsored by the NA TO Science Committee, which aims at the dissemination of advanced scientific and technological know/edge, with a view to strengthening links between scientific communities. The Series is published by an international board of publishers in conjunction with the NATO Scientific Affairs Division A Life Sciences Plenum Publishing Corporation B Physics London and New York C Mathematical and Physical Sciences Kluwer Academic Publishers o Behavioural and Social Sciences Dordrecht, Boston and London E Applied Sciences F Computer and Systems Sciences Springer-Verlag G Ecological Sciences Berlin, Heidelberg, New York, London, H Cell Biology Paris and Tokyo I Global Environmental Change PARTNERSHIP SUB-SERIES 1. Disarmament Technologies Kluwer Academic-Publishers 2. Environment Springer-Verlag I Kluwer Academic Publishers 3. High Technology Kluwer Academic Publishers 4. Science and Technology Policy Kluwer Academic Publishers 5. Computer Networking Kluwer Academic Publishers The Partnership Sub-Series incorporates activities undertaken in collaboration with NA TO's Cooperation Partners, the countries of the CIS and Central and Eastern Europe, in Priority Areas of concern to those countries. NATo-PCO-OATA BASE The electronic index to the NATO ASI Series provides full bibliographical references (with keywords andlor abstracts) to more than 50000 contributions from international scientists published in all sections of the NATO ASI Series. Access to the NATO-PCO-DATA BASE is possible in two ways: - via online FILE 128 (NATO-PCO-DATA BASE) hosted by ESRIN, Via Galileo Galilei, 1-00044 Frascati, Italy. - via CD-ROM "NATO-PCO-DATA BASE" with user-friendly retrieval software in English, French and German (© wrv GmbH and DATAWARE Technologies Inc. 1989). The CD-ROM can be ordered through any member of the Board of Publishers or through NATO PCO, Overijse, Belgium. Series C: Mathematical and Physical Sciences - Vol. 470 Frontiers of Chemical Dynamics edited by Ersin Yurtsever Middle East Technical University, Chemistry Department, Ankara, Turkey Springer Science+Business Media, B.V. Proceedings of the NATO Advanced Study Institute on Frontiers of Chemical Dynamics Kemer, Antalya, Turkey 5-16 September 1994 A C.I.P. Catalogue record for this book is available from the Library of Congress. ISBN 978-94-010-4153-9 ISBN 978-94-011-0345-9 (eBook) DOI 10.1007/978-94-011-0345-9 Printed on acid-free paper AII Rights Reserved © 1995 Springer Science+Business Media Oordrecht Originally published by Kluwer Academic Publishers in 1995 Softcover reprint of the hardcover 1 st edition 1995 No part of the material protected by this copyright notice may be reproduced or utilized in any form or by any means, electronic or mechanical, including photo copying, record ing or by any information storage and retrieval system, without written permission from the copyright owner. CONTENTS Preface vii List ofp articipants ix Theoretical Overview of Chemical Dynamics 1 W.HMiller Photodissociation of Weak Bonds: The Spectroscopy 21 and Vibrational Dynamics of Molecular Complexes R. E. Miller Molecular Photoionization Dynamics at Threshold Energies 43 M.G.White Molecular Interactions from the Dynamical Behaviour of 79 Polyatomic Gaseous Mixtures F.A Gianturco Resonances in Molecular Dynamics 107 O.Atabek Molecules in Laser Fields 131 AD. Bandrauk Coherent and Incoherent Laser Control of Photochemical Events 151 M.Shapiro and P.Brumer Adaptive Feedback Control of Molecular Motion 181 HRabitz Information Theory Approach in Chemical Dynamics 195 R.D.Levine Trends in Molecular Dynamics Simulation Technique 217 lBrickmann, S.M.Kast, HVolIhardt and S.Reiling Subspace Molecular Dynamics for Long Time Phenomena 255 AA~kar vi Vibrational Dynamics at the Adsorbate-Substrate Interface 267 T. Uzer and l T.Muckerman Time-dependent Nuclear Dynamics of Decaying States 291 L.S.Cederbaum and F.Tarantelli Collisional Energy Transfer; New Light on an Old Problem 331 A. lMcCaffery Angular Momentum Projection in Quantum Molecular Dynamics 349 L. Lathouwers Three Particle Systems and Hyperspherical Harmonics 357 J.Hinze, A.Alijah and L.Wolniewicz Dynamics and Spectroscopy of Highly Excited Molecules 371 F.Borondo and R.M.Benito Mixed Mode Dynamics within the TDSCF Approximation 393 E.Yurtsever and lBrickmann Preface This volume contains the lectures presented at the NATO Advanced Study Institute (ASI) on " Frontiers of Chemical Dynamics ", held in the Club AIda, Kerner, Turkey, from 5th September to 16th September 1994. The Kerner area, famous for its pristine beaches and craggy mountains provided an excellent atmosphere for an intellectually and socially active meeting. The first class facilities of Club AIda allowed the participants to concentrate on the scientific activities without any outside interferences and disturbances. The main objective of the meeting was to bring experts of chemical dynamics to discuss problems from both experimental and theoretical points of view. The organizing committee has helped a great deal to collect an impressive list of lecturers, although there were quite a number of other scientists whom we would have liked to invite. Unfortunately, the number of lecturers is limited and we had to leave out some of them. The selection of the lecturers from a very long list was a difficult process and those who are approached in our very first attempt were all known for giving very good lectures. The purpose of the ASI's are mainly educational even though they may be at a very high level and it is essential to keep in mind the pedagogical aspects of the meeting without sacrificing the scientific quality. This point was underlined several times in our communications with lecturers. The lectures covered a variety of important problems of dynamical nature and they are arranged to follow a certain line of thought with the idea that this compilation can be used as a supplementary textbook for a graduate course. The Advanced Study Institute was financed by a major grant from NATO and we would like to express our sincere gratitude to the NATO Scientific Committee. We also would like to thank NATO representatives in Greece, Portugal and Turkey whose grants made the participation of several students from these countries possible. The Oyak Tourism organization contributed to conference by an additional grant to cover the expenses of a number of participants. Finally Middle East Technical University provided its facilities for communication and printing purposes. The local organization was covered by Oyak Tourism who handled the job very professionally and allowed us concentrate on the scientific aspects of the conference. Together with the staff of Club AIda, they provided a very warm social environment for which I am very grateful. vii Vill Finally I would like to express my thanks to my colleague Turgay Uzer who has spent a tremendous amount of time on all the organizational details and suffered with me when we thought we had problems. The success of the organization is mostly due to his efforts. Ersin Yurtsever, Editor and Director List ofP articipants Director: Prof Dr. Ersin Yurtsever Middle East Technical University Chemistry Department 06531 Ankara TURKEY Lecturers: Prof Lucas Lathouwers Prof Lorenz Cederbaum Dept. of Mathematics Theoretiche Chemie, Universitaet Univ. of Antwerp-Ruca Heidelberg, 1m Neunheimer Groenenborgerhan Felt 253,69121 Heidelberg 171-2020 Antwerp GERMANY BELGIUM Prof Franco Gianturco Prof Andre D.Bandrauk Universita Degli Studi Di Roma, Univ. de Sherbrooke, Que, 11K 2RI, Dipartimento di Chimica, Dep. de Chimie Citta Universitaria, 00185 Roma CANADA ITALY Prof Osman Atabek Centre National de la Recherche Prof RD.Levine Scientifique, Laboratorie de Photo The Fritz Haber Research Center, Physique Moleculaire Bol. 213 Jerusalem 91904 Universite De Paris-Sud, Campus ISRAEL d'Orsay, 91405 Orsay FRANCE ProfJtirgen Brickmann Prof Moshe Shapiro Institut fur Physikalische Chemie I Dept. of Chemical Physics, Weizmann Technische Hochschule Darmstadt Institute of Science, Petersen str. 20, 64287 Rehovot 76100 Darmstadt GERMANY ISRAEL ix x Prof F. Borondo Prof W.H. Miller Dep. Quimica, CXIV, Universidad Department of Chemistry, Autonoma de Madrid, Cantoblanco University of California, Berkeley, 28049 Madrid Ca 94720 spAiN USA Prof Dr. Atilla ~kar Prof Herschel Rabitz Koy University Princeton University, Fen ve insani Bilimleri Fak. Department of Chemistry, Princeton, C;aYlT Cad. No:5 New Jersey 08544-1009 80860 istinye USA istanbul, TURKEY Prof. Michael White Chemistry Dep. Prof A.J. McCaffery Brookhaven National Lab. The Univ. Sussex, The School of Upton NYll973 and Mol. Sciences, Brighton USA BN 19 QJ UK Prof Turgay Uzer Georgia Institute of Technology Prof Roger E.MilIer School of Physics Dep. Chern. Univ. N.Carolina, Chapel Atlanta, Georgia Hill, North Carolina 27599, 30332-0430 USA USA Participants: G.N. Vayssilov Tucker Carrington Uni.Sofia, Faculty of Chemistry Dept de Chimie, University of 1126 Sofia, Montreal CP6128 Succ Centre ville BULGARIA Montreal QC H3CJ7 CANADA Claude Dion Laboratoire de Chimie Theorique Andre Conjusteau Deptement de Chimie Universite de Laboratoire de Chimie Theorique Sherbrooke, JlK 2 RI Deptement de Chimie Universite de CANADA Sherbrooke, JlK 2 RI CANADA
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