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Ab Initio Theory of Electronic Excitations at Surfaces

Download or Read eBook Ab Initio Theory of Electronic Excitations at Surfaces PDF written by Matthias Timmer and published by Sudwestdeutscher Verlag Fur Hochschulschriften AG. This book was released on 2011-01 with total page 172 pages. Available in PDF, EPUB and Kindle.
Ab Initio Theory of Electronic Excitations at Surfaces
Author :
Publisher : Sudwestdeutscher Verlag Fur Hochschulschriften AG
Total Pages : 172
Release :
ISBN-10 : 3838122690
ISBN-13 : 9783838122694
Rating : 4/5 (90 Downloads)

Book Synopsis Ab Initio Theory of Electronic Excitations at Surfaces by : Matthias Timmer

Book excerpt: Understanding energy dissipation mechanisms is a field of present-day scientific interest. Experimental results for electronic excitations in metals propose a measurable electronic excitation during many processes involving a metal surface, including epitaxy. While the role of the nuclear excitation processes is comparatively well understood, the role of electronic excitation processes in the energy dissipation during adsorption and other dynamical processes at surfaces is elusive. One of the reasons is that the interaction dynamics is often treated on a Born- Oppenheimer potential energy surface, which is, strictly speaking, not justified for metals, but lifting this restriction is computationally demanding. The focus of this book is the investigation of a perturbative approach to calculate electronic excitations. After a basic introduction into some major aspects of Density Functional Theory calculations, a time-dependent perturbative approach to calculate electronic excitations is developed. This approach is then applied to several model systems, and the results are compared to available experimental data, and other theoretical approaches.


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