Alexandra VIEL


Lehrstuhl fuer Theoretische Chemie
Technische Universitaet Muenchen
D-85747 Garching bei Muenchen
GERMANY



Post doctoral fellow with Prof. W. Domcke

E-mail : Alexandra.Viel@ch.tum.de              Phone : (+49) 89 289 13614
Office : 63 425 Fax : (+49) 89 289 13622



Scientific interests:
- Rate constant calculation for the reaction H+O2 -> OH + O [1]
-Resonances (ClHCl and HO2)
-Derivation of kinetic operator [2, 5]
-Exact vibrational spectrum (HFCO [3, a, 5] ,water dimer [4] and AgH [8] )
- Structure and spectroscopy of doped-helium clusters [6, b, 7, c, 9, 10]
- Fast photophysical dynamics of ethylene[11,12], trans-butadiene and NH3+ with non-adiabatic couplings

Techniques and Methodologies:
- Basis set contraction
- Lanzcos algorithm
- Quantum Monte Carlo (Diffusion and Variational)
- Wave packet propagation (MCTDH)


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Last update : March 2003