WISSENSCHAFTLICHES PROGRAMM

 

SESSION A: Montag, 11. September, Vormittagssession

I01: Anton Zeilinger (Universität Wien, Austria): Quantum interference experiments with complex systems

I02: Wolfgang Schleich (Universität Ulm, Germany): How to measure the wavefunction of a molecule - The art of mesuring quantum states

I03: Moshe Shapiro (Weizmann Institut, Rehovot, Israel ): Controlling molecules with coherent light
 

SESSION B: Montag, 11. September, Nachmittagssession

H01: N.N. (Hellmann-Preisträger 2000): Hans-Hellmann Lecture

C00:  Präsentation von COST D9

C01: R. Jaquet (Siegen): Investigations of H3+ based on explicitly correlated wavefunctions
C02: O.Friedrich and A. Alijah (Bielefeld):Bound states of triplet H3+
C03: Th. Sommerfeld (Heidelberg): Autodetachment lifetimes of small dianions

C04: S.C. Althorpe (Durham): State-to-state wavepacket movies of reactive scattering
C05: D. Luckhaus (Zürich): Vibrational adiabaticity: Problems and solutions
C06: O. Kühn, H. Naundorf and K.G. Paramonov (Berlin): Ultrafast multidimensional dynamics of strong hydrogen bonds

C07: H. Köppel and R. Schork (Heidelberg): Theoretical study of the spectroscopy and dynamics of the vinylidene-acetylen isomerization
C08: D. Aktah, U. Röhrig and I. Frank (München): Chemistry in complex systems: First-principles simulations
C09: I. Kondov, U. Kleinekathöfer and M. Schreiber (Chemnitz): Theory of ultrafast photo-induced electron transfer in large systems with dissipation
 

SESSION C: Montag, 11. September, Abendsession

Postersession 1: ungerade Posternummern (Þ Posterliste )
 

SESSION D: Dienstag, 12. September, Vormittagssession

I04: Gerhard Stock (Universität Frankfurt, Germany): Incorporating quantum effects in classical trajectory simulations

I05: Uwe Manthe (Technische Universität München, Germany): Quantum effects on reaction rates

I06: Reinhard Schinke (Max-Planck-Institut für Strömungsforschung, Göttingen, Germany): A state-specific quantum mechanical perspective of unimolecular dissociation
 

SESSION E: Mittwoch, 13. September, Vormittagssession

I07: James B. Anderson (Pennsylvania State University, University Park, Pa., USA ): Quantum Monte Carlo:  from a few electrons to a few thousand

I08: David. A. Yarkony (Johns Hopkins University, Baltimore, Md., USA): Conical intersections - The new conventional wisdom

C10: M. Dallos, Th. Müller, H. Lischka  (Wien) and R. Shepard (Argonne): Geometry optimization of excited valence states of formaldehyde using analytical MR-CISD and MR-AQCC gradients: The p ® p * state is not planar
C11: A. Hofmann and R. de Vivie-Riedle (Garching): Ultrafast dynamics via conical intersections: Adiabatic description and control strategies
C12: A. Lami (Pisa
) and F. Santoro (Siena): Influence of the preparation step on the decay of excited wavepackets in molecular systems with a conical intersection
 

SESSION F: Mittwoch, 13. September, Nachmittagssession

I09: Bernd Engels (Universität Würzburg, Germany): The quantum chemistry of diradicals

I10: Pavel Hobza (J. Heyrovský Institute, Praha, Czech Republic): The quantum chemistry of hydrogen bonds and nucleic acid base pairs

C13: M. Schütz (Stuttgart): Local Coupled Cluster including triple excitations with linear cost scaling
C14: A.D. Boese and N. C. Handy (Cambridge, UK): The development and assessment of new density functionals
C15: M. Bühl (Mülheim/Ruhr): Probing the reactivity of transition metal compounds by NMR chemical shift calculations
C16: G. Erker, St. Grimme and Ch. Mück-Lichtenfeld (Münster): DFT calculations on the rearrangement of a zwitterionic zirconocene complex

Mitgliederversammlung der AG Theoretische Chemie      Tagesordnung
 

SESSION G: Mittwoch, 13. September, Abendsession

Postersession 2: gerade Posternummern (Þ Posterliste )
 

SESSION H: Donnerstag, 14. September, Vormittagssession

I11: Klaus Schulten (University of Illinois, Urbana-Champaign, Il., USA): Quantum biology of light harvesting in photosynthesis

I12: Jürgen Hafner (Universität Wien, Austria): A quantum perspective in materials science

C17: M. Hutter and V. Helms (Frankfurt): The mechanism of phosphoryl transfer in kinases
C18: Th. Krüger and A.F. Sax (Graz): Local defect structures in amorphous Si:H
C19: G. Seifert, Th. Köhler and Th. Frauenheim (Paderborn): Inorganic Nanotubes – Structure and Properties