Prof. Dr. Michael Thoss

Profile

Academic positionFull Professor
Research fieldsTheoretical Chemistry: Electron Structure, Dynamics, Simulation,Theoretical Condensed Matter Physics
Keywordsa) nonadiabatic dynamics, b) semiclassical methods, c) dissipative systems, d) electron-molecule scattering (ASB 07.00)

Current contact address

CountryGermany
CityFreiburg
InstitutionAlbert-Ludwigs-Universität Freiburg
InstitutePhysikalisches Institut

Host during sponsorship

Prof. Dr. William H. MillerDepartment of Chemistry, University of California, Berkeley, Berkeley
Start of initial sponsorship16/07/1998

Programme(s)

1998Feodor Lynen Research Fellowship Programme

Publications (partial selection)

2001Michael Thoss, H. Wang, W.H. Miller: Generalized Forward-Backward Initial Value Representation for the Calculation of Correlation Functions in Complex Systems. In: J. Chem. Phys. , 2001, 9220
2001Michael Thoss, H. Wang, W.H. Miller: Self-Consistent Hybrid Approach for Complex Systems: Application to the Spin-Boson Model with Debye Spectral Density. In: J. Chem. Phys. , 2001, 2991
2001R. Gelabert, X. Gimenez, Michael Thoss, H. Wang, W.H. Miller: Semiclassical Description of Diffraction and Its Quenching by the Forward-Backward Version of the Initial Value Representation. In: J. Chem. Phys. , 2001, 2572
2001H. Wang, Michael Thoss, K. Sorge, R. Gelabert, X. Gimenez, W.H. Miller: Semiclassical Description of Quantum Coherence Effects and Their Quenching: A Forward-Backward Initial Value Representation Study. In: J. Chem. Phys., 2001, 2562
2001H. Wang, Michael Thoss, W.H. Miller: Systematic Convergence in the Dynamical Hybrid Approach for Complex Systems: A Numerically Exact Methodology. In: J. Chem. Phys. , 2001, 2979
2000R. Gelabert, X. Gimenez, Michael Thoss, H. Wang, W.H. Miller: A Log-Derivative Formulation of the Prefactor for the Semiclassical Herman-Kluk Propagator. In: J. Phys. Chem., 2000, 10321
2000H. Wang, Michael Thoss, W.H. Miller: Forward-Backward Initial Value Representation for the Calculation of Thermal Rate Constants for Reactions in Complex Molecular Systems. In: J. Chem. Phys., 2000, 47
2000Michael Thoss, W.H. Miller, G. Stock: Semiclassical Description of Nonadiabatic Quantum Dynamics: Application to the S1-S2 Conical Intersection in Pyrazine. In: J. Chem. Phys. , 2000, 10282