Institute of Theoretical Physics

NA-QMD: Non-Adiabatic Quantum Molecular Dynamics

Theoretical Atomic and Molecular Physics Group

Introduction

People

Publications

Dynamics in laser fields

 H2+:

C60: Giant breathing mode

Organic molecules: Isomerization

Dynamics in collisions

Ion - fullerene: "Stopping power"

Atom - cluster: Transparency

Cluster - cluster: Fusion

Kr8+ + N2: Coulomb explosion

Selected Publications

Formalism

  1. U. Saalmann and R. Schmidt,
    Non-adiabatic Quantum Molecular Dynamics, Basic Formalism and Case Study,
    Z. Phys. D 38, 153 (1996).

  2. T. Kunert and R. Schmidt,
    Non-adiabatic quantum molecular dynamics: General formalism and case study H2+ in strong laser fields,
    Eur. Phys. J. D 25, 15 (2003).

  3. M. Uhlmann, T. Kunert and R. Schmidt,
    Non-adiabatic quantum molecular dynamics: ionization of many-electron systems,
    J. Phys. B 39, 2989 (2006).

  4. M. Uhlmann, T. Kunert and R. Schmidt,
    Error of finite basis expansions in time-dependent calculations of atom-laser interaction,
    Phys. Rev. E 72, 036704 (2005).

Applications

  1. F.  Rohmund, E.  E.  B.  Campbell, O.  Knospe, G.  Seifert, and R.  Schmidt,
    Collision Energy Dependence of Molecular Fusion and Fragmentation in C60+ + C60 Collisions,
    Phys. Rev. Lett. 76, 3289 (1996).

  2. U. Saalmann and R. Schmidt,
    Excitation and Relaxation in Atom-Cluster Collisions,
    Phys. Rev. Lett. 80, 3213 (1998).

  3. T. Kunert and R. Schmidt,
    Excitation and Fragmentation Mechanisms in Ion-Fullerene Collisions,
    Phys. Rev. Lett. 86, 5258 (2001).

  4. T. Laarmann, I. Shchatsinin, A. Stalmashonak, M. Boyle, N. Zhavoronkov, J. Handt, R. Schmidt, C.P. Schulz, and I.V. Hertel,
    Control of Giant Breathing Motion in C60 with Temporally Shaped Laser Pulses,
    Phys. Rev. Lett. 98, 058302 (2007).

  5. O. Knospe, J. Jellinek, U. Saalmann, and R. Schmidt,
    Charge transfer in cluster-atom collisions,
    Eur. Phys. J. D 5, 1 (1999).

  6. Z. Roller-Lutz, Y. Wang, H. O. Lutz, U. Saalmann, and R. Schmidt,
    Strong temperature dependence of laser-enhanced charge transfer in collisions of sodium clusters with sodium atoms,
    Phys. Rev. A 59, R2555 (1999).

  7. O. Knospe, J. Jellinek, U. Saalmann, and R. Schmidt,
    Charge transfer and fragmentation in cluster-atom collisions,
    Phys. Rev. A 61, 022715-1 (2000).

  8. M. Ehrich, U. Werner, H. O. Lutz, T. Kaneyasu, K. Ishii, K. Okuno, and U. Saalmann,
    Simultaneous charge polarization and fragmentation of N2 molecules in slow keV collisions with Kr8+ ions,
    Phys. Rev. A 65(3), 030702 (2002).

  9. J. A. Fayeton, M. Barat, J. C. Brenot, H. Dunet, Y. J. Picard, U. Saalmann, and R. Schmidt,
    Detailed experimental and theoretical study of collision-induced dissociation of Na2+ ions on He and H2 targets at keV energies,
    Phys. Rev. A 57(2), 1058-1068 (1998).

  10. R. Schmidt, O. Knospe, and U. Saalmann,
    Adiabatic and non-adiabatic cluster collisions,
    Nuovo Cimento A 110, 1201 (1997).

  11. Ulf Saalmann and Rüdiger Schmidt,
    Non-adiabatic quantum molecular dynamics: Reaction mechanisms in atom-cluster collisions,
    AIP Conf. Proc. 500, 720-724 (2000).

  12. F. Grossmann, U. Saalmann, and R. Schmidt,
    Laser- and collision-induced nonadiabatic wave-packet dynamics in sodium molecules,
    Annalen der Physik 9, 785 (2000).

  13. T. Kunert, F. Grossmann, and R. Schmidt,
    Nonadiabatic dynamics of ethylene in femtosecond laser-pulses,
    Phys. Rev. A 72, 023422 (2005).

  14. J. Handt, T. Kunert, and R Schmidt,
    Fragmentation and cis-trans isomerization of diimide in fs laser-pulses,
    Chem. Phys. Lett. 428, 220 (2006).

  15. Jan Handt,
    Ab-Initio Molecular Dynamics Studies Of Laser- And Collision-Induced Processes In Multielectron Diatomics, Organic Molecules And Fullerenes,
    Ph.D. thesis, TU Dresden (2010).

  16. Rüdiger Schmidt and Jan Handt,
    Laser- and Collision-Induced Collective Vibrational Excitations in Fullerenes,
    AIP Conf. Proc. 1197(1), 144-151 (2009).

  17. M. Uhlmann, T. Kunert, F. Grossmann, and R. Schmidt,
    Mixed classical-quantum approach to excitation, ionization, and fragmentation of H2+ in intense laser fields,
    Phys. Rev. A 67, 013413 (2003).

  18. M. Uhlmann, T. Kunert, and R. Schmidt,
    Molecular alignment of fragmenting H2+ and H2 in strong laser fields,
    Phys. Rev. A 72, 045402 (2005).

  19. A. Kästner, F. Grossmann, S. Krause, R. Schmidt, A. Kenfack, and J.-M. Rost,
    Steering a molecule into dissociation via vibrational excitation,
    New Journal of Physics 11, 083014 (2009).

  20. M. Fischer, F. Grossmann, R. Schmidt, J. Handt, S. M. Krause, and J.-M. Rost,
    Mixed quantum-classical and full quantum approach to multiphoton dissociation of the hydrogen molecular ion,
    New Journal of Physics 13, 053019 (2011).

  21. J. Handt, S. Krause, J.-M. Rost, M. Fischer, F. Grossmann, and R. Schmidt,
    Complete dynamics of H2+ in strong laser fields,
    (arXiv:1103.1565v2 [physics.atm-clus]) (2011).

  22. M. Fischer, U. Lorenz, B. Schmidt, and R. Schmidt,
    Fragmentation due to centrifugal forces in the photodissociation of H2+ in intense laser fields,
    Phys. Rev. A 84, 033422 (2011).

  23. M. Fischer, J. Handt, S. Krause, J.-M. Rost, F. Grossmann, and R. Schmidt,
    Role of nuclear rotation in molecular ionization,
    (to be published) (2012).