Dunyou Wang

Several new developments in quantum reaction dynamics

Time-dependent quantum wave packet approach, Polyatomic quantum reaction dynamics

• Broschiertes Buch

Produktbeschreibung

In recent years, quantum dynamics scattering theory
has been well developed for small systems, such as
three or four atom systems. In this book, based on
the author's Ph.D. dissertation, the Reactant Product
Decoupling
approach has been developed for photodissociation
systems to save the computational
effort in dynamics calculations without losing the
computational accuracy. Another challenging aspect is
how to correct available but not accurate potential
energy surfaces (PES) to experimentally accurate ones
that are crucial to
the accuracy of the dynamics calculations. The
Inverse Perturbation via Singular Value Decomposition
method has been proposed to correct the
available PES by using the experimental data as input.
For polyatomic systems, Semi-rigid Vibrating Rotor
Target model has been developed to deal with
polyatomic reactions on a rigid surface. This model
surpasses the diatomic model for polyatomic molecule
reactions on surfaces, especially for the rotational
motion which is treated accurately. Applications of
the above theories to specific chemical reactions are
presented in this book.

Produktdetails

• Verlag: VDM Verlag Dr. Müller
• Seitenzahl: 128
• Englisch
• Gewicht: 180g
• ISBN-13: 9783639168846
• ISBN-10: 3639168844
• Artikelnr.: 26557985

Autorenporträt

Dunyou Wang is a Taishan Scholar Professor of the College of
Physics and Electronics at Shandong Normal University, China. He
received his Ph.D. in Theoretical Physical Chemistry from New
York University. His current research interests are developing
and applying accurate theoretical methods to study quantum
dynamics for chemical reactions.