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Quantum Dynamics of Charge and Energy Transfer in Molecular Systems: An Introduction into Computer Simulations

ISBN: 978-3-527-40733-0
420 pages
February 2015
Quantum Dynamics of Charge and Energy Transfer in Molecular Systems: An Introduction into Computer Simulations (3527407332) cover image
This advanced text is based on the successful concept of the first and second edition of the monograph, in presenting a unified perspective on molecular charge and energy transfer processes. The authors bridge the regimes of coherent and dissipative dynamics, thus establishing the connection between classic rate theories and modern treatments of ultrafast phenomena. The book serves as an introduction for graduate students and researchers.
The style of writing, end of chapter problems and especially accompanying model code make this book unrivalled on the market.
Among the new topics of this second edition are
- semiclassical and quantum-classical hybrid formulations of molecular dynamics
- the basics of femtosecond nonlinear spectroscopy
- electron transfer through molecular bridges and proteins
- multidimensional tunneling in proton transfer reactions
- two-exciton states and exciton annihilation in biological and nonbiological chromophore complexes

More illustrating examples as well as an enlarged reference list are added. A new chapter gives an introduction into the theory of laser pulse control of molecular transfer processes.
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1 Molecular electron-vibrational eigenstates
2 Molecular Quantum Dynamics of Isolated and Open Systems
3 Intramolecular electronic transitions
4 Electron Transfer
5 Proton Transfer
6 Exciton Transfer
7 Laser Control
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The research focus of Volkhard May at the Humboldt University Berlin is the theory of transfer phenomena in molecular nanostructures. Oliver Kühn is researcher at the Free University Berlin. His research interests are ultrafast spectroscopy and dynamics of condensed phase systems. The authors are experienced writers, as proven by the success of the first two editions of this work.
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Recommendation of the 1st and second monograph edition:
"A few months after the first edition of May and Kuehn's book was released, I met a Danish colleague at a conference in Montreux (on Lake Geneva). He had spent the weekend reading the book in his hotel room, despite the beautiful weather and nice sightseeing! This anecdote illustrates the sucess met by the first edition, and if you liked it, then you will like the second edition even more! ... the book provides a didactic and pedagogic presentation of molecular processes."

Prof. Majed Chergui, Laboratory of Ultrafast Spectroscopy, Ecole Polytechnique Fédérale de Lausanne, ChemPhysChem, 4/2005

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