Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics | Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions

Stavros C. Farantos

ISBN 10: 3319099876 / ISBN 13: 9783319099873

Edité par Springer, 2014

Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics | Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions | Stavros C. Farantos | Taschenbuch | SpringerBriefs in Molecular Science | xi | Englisch | 2014 | Springer | EAN 9783319099873 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu. N° de réf. du vendeur 105208227

Synopsis :

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.

Détails bibliographiques

Titre : Nonlinear Hamiltonian Mechanics Applied to ...
Éditeur : Springer
Date d'édition : 2014
Reliure : Taschenbuch
Etat : Neu