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Quantum Dynamics of Complex Molecular Systems

  • David A. Micha
  • Irene Burghardt

Part of the Springer Series in Chemical Physics book series (CHEMICAL, volume 83)

Table of contents

  1. Front Matter
    Pages I-XIII
  2. Complex Molecular Phenomena

    1. Front Matter
      Pages 1-3
    2. Condensed Matter and Surface Phenomena

      1. O. V. Prezhdo, W. R. Duncan, C. F. Craig, S. V. Kilina, B. F. Habenicht
        Pages 5-30
      2. B. Brüggemann, D. Tsivlin, V. May
        Pages 31-55
      3. Eric R. Bittner, John Glen S. Ramon
        Pages 57-85
    3. From Multidimensional Dynamics to Dissipative Phenomena

  3. New Methods for Quantum Molecular Dynamics in Large Systems

    1. Front Matter
      Pages 223-226
    2. Semiclassical Methods

    3. Mixed Quantum-Classical Statistical Mechanics Methods

      1. G. Ciccotti, D. F. Coker, Raymond Kapral
        Pages 275-293
      2. G. Hanna, H. Kim, R. Kapral
        Pages 295-319
    4. Quantum Trajectory Methods

      1. A. S. Sanz, S. Miret-Artés
        Pages 343-368
      2. C. Meier, J. A. Beswick
        Pages 369-390
      3. I. Burghardt, K. B. Møller, K. H. Hughes
        Pages 391-421
  4. Back Matter
    Pages 423-429

About this book

Introduction

Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods

Keywords

charge transfer cluster dynamics exciton dynamics mechanics molecule polymers, biomolecules, surfaces quantum trajectories quantum-classical dynamics surfaces

Editors and affiliations

  • David A. Micha
    • 1
  • Irene Burghardt
    • 2
  1. 1.Institut für Medizinische OptikUniversität MünchenMünchenGermany
  2. 2.Professor of Chemistry and PhysicsUniversity of FloridaGainesvilleUSA

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-540-34460-5
  • Copyright Information Springer-Verlag Berlin Heidelberg 2007
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Chemistry and Materials Science
  • Print ISBN 978-3-540-34458-2
  • Online ISBN 978-3-540-34460-5
  • Series Print ISSN 0172-6218
  • Buy this book on publisher's site
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