SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters

Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics

Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions

Authors: Farantos, Stavros

  • Examples from model systems and real molecules
  • Combines theory and numerical applications to facilitate understanding
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eBook $39.99
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  • ISBN 978-3-319-09988-0
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  • Immediate eBook download after purchase
Softcover $54.99
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  • ISBN 978-3-319-09987-3
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About this book

This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied.

Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures.

Reviews

From the book reviews:

“The book will not only be useful to chemists interested in mathematics, but also to mathematicians willing to start collaborations with chemists, as it is written in a language fully accessible to mathematicians.” (Giuseppe Gaeta, zbMATH, Vol. 1304, 2015)

Table of contents (7 chapters)

Buy this book

eBook $39.99
price for USA (gross)
  • ISBN 978-3-319-09988-0
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $54.99
price for USA
  • ISBN 978-3-319-09987-3
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics
Book Subtitle
Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions
Authors
Series Title
SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters
Copyright
2014
Publisher
Springer International Publishing
Copyright Holder
The Author(s)
eBook ISBN
978-3-319-09988-0
DOI
10.1007/978-3-319-09988-0
Softcover ISBN
978-3-319-09987-3
Edition Number
1
Number of Pages
XI, 158
Number of Illustrations and Tables
9 b/w illustrations, 27 illustrations in colour
Topics