Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics

Stavros C. Farantos

ISBN 10: 3319099876 / ISBN 13: 9783319099873

Published by Springer International Publishing, Springer International Publishing Okt 2014, 2014

About this Item

This item is printed on demand - Print on Demand Titel. Neuware -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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 172 pp. Englisch.

Seller Inventory # 9783319099873

Bibliographic Details

• Title: Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics
• Publisher: Springer International Publishing, Springer International Publishing Okt 2014
• Publication Date: 2014
• Language: English
• ISBN 10: 3319099876
• ISBN 13: 9783319099873
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 235W x 155H x 10D millimeters 235 millimeters width by 155 millimeters height by 10 millimeters depth
• Weight: 303 grams

About this title

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.

Review

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)