Physical Chemistry in Action

Molecular Quantum Dynamics

From Theory to Applications

Editors: Gatti, Fabien (Ed.)

  • An educational and accessible introduction to the field of molecular quantum dynamics
  • Illustrates the importance of the topic for broad areas of science: from astrophysics and the physics of the atmosphere, over elementary processes in chemistry, to biological processes
  • Presents chosen examples of striking applications, highlighting success stories, summarized by the internationally renowned experts
  • Including a foreword by Lorenz Cederbaum (University Heidelberg, Germany)
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  • ISBN 978-3-642-45290-1
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Hardcover $129.00
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  • ISBN 978-3-642-45289-5
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  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
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  • ISBN 978-3-662-51226-5
  • Free shipping for individuals worldwide
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About this book

This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.

Table of contents (10 chapters)

  • Introduction and Conceptual Background

    Gatti, Fabien (et al.)

    Pages 1-30

  • Elementary Molecule–Surface Scattering Processes Relevant to Heterogeneous Catalysis: Insights from Quantum Dynamics Calculations

    Díaz, Cristina (et al.)

    Pages 31-58

  • Tunneling in Unimolecular and Bimolecular Reactions

    Guo, Hua (et al.)

    Pages 59-80

  • Reactive Scattering and Resonance

    Sun, Zhigang (et al.)

    Pages 81-116

  • Vibrational Spectroscopy and Molecular Dynamics

    Vendrell, Oriol (et al.)

    Pages 117-145

Buy this book

eBook $99.00
price for USA (gross)
  • ISBN 978-3-642-45290-1
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $129.00
price for USA
  • ISBN 978-3-642-45289-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
price for USA
  • ISBN 978-3-662-51226-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Molecular Quantum Dynamics
Book Subtitle
From Theory to Applications
Editors
  • Fabien Gatti
Series Title
Physical Chemistry in Action
Copyright
2014
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
Distribution Rights
Distribution rights for India: Researchco Book Centre, New Delhi, India
eBook ISBN
978-3-642-45290-1
DOI
10.1007/978-3-642-45290-1
Hardcover ISBN
978-3-642-45289-5
Softcover ISBN
978-3-662-51226-5
Series ISSN
2197-4349
Edition Number
1
Number of Pages
IX, 273
Number of Illustrations and Tables
38 b/w illustrations, 62 illustrations in colour
Topics