Lorentz Center - High dimensional quantum dynamics: challenges and opportunities from 28 Sep 2005 through 1 Oct 2005
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    High dimensional quantum dynamics: challenges and opportunities
    from 28 Sep 2005 through 1 Oct 2005

Wednesday September 28

Wednesday September 28


12.00              Arrival and registration

13.00              Lunch

                        Session: Applications to reaction dynamics

14.00              U. Manthe, University of Bielefeld: Quantum dynamics of polyatomic reactions (K1)

14.50              R. van Harrevelt, Katholieke Universiteit Nijmegen: The correlation discrete variable representation (I1)

15.30              O. Vendrell, Universitat Autònoma de Barcelona: Nuclear quantum dynamical investigations on the multiple proton transfer in a chain of water molecules (C1)

16.00              break

16.30              S. Briquez, Université de Lille I: Photodissociation of molecules adsorbed on ice (C2)

17.10              discussion

18.00              wine and cheese party

20.00              dinner somewhere in town



Thursday September 29


                        Session: Other high-dimensional quantum dynamics methods

9.00                J.M. Bowman, Emory University, Atlanta: Quantum approaches for dynamics of high dimensional systems (K2)

9.50                O. Christiansen, University of Århus: New methods for calculating vibrational wave functions, energies, and molecular properties: Vibrational coupled cluster theory (I2)

10.30              D. Shalashilin, Oxford University: Multidimensional phase space quatum mechanics with the help of coupled coherent states (C3)

11.00              break

11.30              T. Carrington, Jr., Université de Montréal: Choosing 1-D basis functions to facilitate extracting a good multidimensional basis from a huge direct product basis: coupled systems with as many as 16 coordinates (I3)

12.10              discussion

13.00              lunch

                        Session: Applications to scattering dynamics and spectroscopy

14.00              F. Gatti, Université Montpellier II: Applications of MCTDH to intramolecular vibrational energy redistribution and scattering problems of tetra- and pentaatomic molecular systems (K3)

14.50              H. Köppel, Universität Heidelberg: Multi-state multi-mode vibronic dynamics in spectroscopy and photo-induced processes (I4)

15.30              D. Tsivlin, Humboldt-Universität zu Berlin: Vibrational exciton self-trapping in α-helices studied by multidimensional quantum dynamics (C4)

16.00              break

16.30              O. Kühn, Freie Universität Berlin: Multi-dimensional quantum dynamics of intramolecular hydrogen bonds (I5)

17.10              discussion

18.00              free time

20.00              conference dinner



Friday September 30


                        Session: Potential surface fitting

9.00                M.A. Collins, Australian National University, Canberra: Potential energy surfaces (K4)

9.50                B.J. Braams, Emory University, Atlanta: Full-dimensional, permutationally invariant potential energy and dipole moment surfaces: mathematical and computational aspects (I6).

10.30              R. Valero, University of Minnesota: Quantum dynamical five-dimensional integral cross sections for OH(v=0,j=0) + CO(v=0,j=0) → H + CO2 on an interpolated ab initio potential energy surface (C5)

11.00              break

11.30              R. Marquardt, Université de Marne-la-Vallée: Potential energy surfaces: From the electronic structure to compact analytical representations (C6)

12.10              discussion

13.00              lunch

                        Session: MCTDH: new directions.

14.00              G.A. Worth, University of Birmingham: New directions in MCTDH: Towards truly polyatomic molecules and general photochemistry (K5)

14.50              M. Nest, Universität Potsdam: Correlated many electron dynamics with the multicongiguration time-dependent Hartree-Fock (MCTDHF) method (I7)

15.30              B. Schneider, National Science Foundation, Arlington: The finite-element discrete variable representation for the solution of the time-dependent Schrödinger equation (C7)

16.00              break

16.30              A. Scrinzi, Vienna University of Technology: A parallel MCTDHF code for multielectron systems in strong fields (C8)

17.10              discussion

18.00              postersession

20.00              dinner somewhere in town



Saturday October 1


                        Session: System bath-methods and applications

9.00                P. Saalfrank, Universität Potsdam: System-bath methods and applications (K6)

9.50                B. Jackson, University of Massachusetts, Amherst: Reduced-density matrix descriptions of gas-surface scattering at finite temperature (I8)

10.30              F. Otto, Universität Heidelberg: An MCTDH-study of the standard generic quantum computer model (C9)

11.00              break

11.30              G. Nyman, Göteburg University: MCTDH treatment of the double-well coupled to a harmonic bath (C10)

12.10              discussion

13.00              departure


K: keynote lecture (40 + 10)

I: invited lecture (30 + 10)

C: contributed talk (30 + 10 or 20 + 10)