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Introduction and Overview

  • Stavros C. Farantos
Chapter
Part of the SpringerBriefs in Molecular Science book series (BRIEFSMOLECULAR)

Abstract

The necessity of treating molecules as nonlinear dynamical systems is explained by referring to both theoretical and computational progress in molecular dynamics as well as experimental advances in reaction dynamics and spectroscopy obtained in the last decades for small and large molecules. The basic concepts of nonlinear mechanics are introduced and time invariant structures in the phase space, such as periodic orbits, tori, normally hyperbolic invariant manifolds and stable/unstable manifolds, are mentioned in association to the molecular phase space. Most importantly, from the very begging it is stated that the hierarchical approach of nonlinear mechanics in understanding dynamical systems by locating invariant phase space structures is the most appropriate in elucidating and predicting molecular behaviour.

Keywords

Periodic Orbit Potential Energy Surface Nonlinear Mechanic Discrete Breather Chaotic Trajectory 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© The Author(s) 2014

Authors and Affiliations

  1. 1.Department of ChemistryUniversity of CreteIraklionGreece
  2. 2.Institute of Electronic Structure and LaserFoundation for Research and Technology-HellasIraklionGreece

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