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 International Publishing, 2014

A propos de cet article

Druck auf Anfrage Neuware - Printed after ordering - 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.

N° de réf. du vendeur 9783319099873

Détails bibliographiques

• Titre: Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics : Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions
• Éditeur: Springer International Publishing
• Date de parution: 2014
• Langue: anglais
• ISBN à 10 chiffres: 3319099876
• ISBN à 13 chiffres: 9783319099873
• Reliure: Taschenbuch
• État de l'article: Neu
• Dimensions: 235 L x 155 H x 10 P (en millimètres) 235 millimètres de largeur par 155 millimètres de hauteur par 10 millimètres de profondeur
• Poids: 303 grammes

A propos de ce titre

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.