报告人：Prof. Wolfgang Domcke
Technical University of Munich
注：本次报告为线下报告。
Role of conical intersections in photophysics and photochemistry
Conical intersections are multi-dimensional seams of exact degeneracies of Born-Oppenheimer potential-energy surfaces of polyatomic molecules. Conical intersections play a crucial role in photophysics, photochemistry and photobiology. At these multi-dimensional intersection seams, the molecular dynamics is dominated by a complete breakdown of the Born-Oppenheimer approximation as well as by exceptionally strong anharmonic couplings of vibrational modes. Starting from a historical overview of the Born-Oppenheimer approximation and the concept of conical intersections, this lecture traces the development of early as well as more recent methods which allow the computational study of the time-dependent nonadiabatic dynamics at conical intersections. A brief overview is also given of the development of theoretical concepts and computational techniques which allow the simulation of time and frequency resolved pump-probe spectra with quantum wave-packet or quasi-classical trajectory methods. It is shown that photochemical dynamics in polyatomic molecules can nowadays be scrutinized in unprecedented detail by the interplay of laser spectroscopy and computational chemistry.
Prof. Dr. Wolfgang Domcke
Department of Chemistry, Technical University of Munich (TUM), Garching, Germany
1975 Ph. D. in Physics, TUM
1976-1979 Research Assistant, Department of Physics, University of Freiburg, Germany
1980-1985 Assistant Professor, Department of Chemistry, University of Heidelberg, Germany
1986-1994 Associate Professor, Department of Chemistry, TUM
1995-1999 Professor, Faculty of Chemistry, University of Düsseldorf, Germany
2000-2013 Professor, Department of Chemistry, TUM
2013- retired and member of TUM Senior Excellence Faculty
Web: https://www.emeriti-of-excellence.tum.de/eoe/a-z/wolfgang-domcke/
Selected Publications
1.W. Domcke and G. Stock, “Theory of ultrafast nonadiabatic excited-state processes and their spectroscopic detection in real time” Adv. Chem. Phys. 100, 1-169 (1997).
2. W. Domcke, D. R. Yarkony and H. Köppel (Eds.), Conical Intersections: Electronic Structure, Dynamics and Spectroscopy, World Scientific, Singapore, 2004
3. M. F. Gelin, L. Chen and W. Domcke, “Equation of motion methods for the calculation of femtosecond time-resolved 4-wave-mixing and N-wave mixing signals” Chem. Rev. 122, 17339-17396 (2022).
Selected Honors and Awards
Member of the International Academy of Quantum Molecular Science (Menton, France, 2003)
The Copernicus Award (Germany/Poland, 2008)
Honorary PhD, Charles University, Prague, Czech Republic (2012)
