Over a period of fifty years, the quantum-classical or semi-classical theories have been among the most popular for calculations of rates and cross sections for many dynamical processes: energy transfer, chemical reactions, photodissociation, surface dynamics, reactions in clusters and
solutions, etc. These processes are important in the simulation of kinetics of processes in plasma chemistry, chemical reactors, chemical or gas lasers, atmospheric and interstellar chemistry, as well as various industrial processes. This book gives an overview of quantum-classical methods that are
currently used for a theoretical description of these molecular processes. It gives the theoretical background for the derivation of the theories from first principles. Enough details are provided to allow numerical implementation of the methods. The book gives the necessary background for
understanding the approximations behind the methods and the working schemes for treating energy transfer processes from diatomic to polyatomic molecules, reactions at surfaces, non-adiabatic processes, and chemical reactions.
About the Author :
Gert D Billing has contributed to The Quantum Classical Theory as an editor.
GERT D. BILLING is Professor of Theoretical Chemistry at the University of Copenhagen. He serves as referee and sits on the editorial boards of numerous professional journals and has been a visiting professor at many universities and research institutions worldwide. Professor Billing is the author or coauthor of over 250 published papers and 150 conference presentations as well as Wiley's Introduction to Molecular Dynamics and Chemical Kinetics.
KURT V. MIKKELSEN is Associate Professor in the Department of Chemistry, University of Copenhagen, Denmark. He has been an invited lecturer at do
|Title:||The Quantum Classical Theory||Publisher:||Oxford University Press, USA|
|Author:||Gert D Billing|
|No. of Pages:||256|
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