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

Complete study of H2+ in intense laser fields


The movie shows the electronic density of H2+ as obtained in a complete NA-QMD study, i.e. taking into account all degrees of freedom (DOF) and simultaneously ionization and fragmentation [1,2].

Time-dependent electronic density

h2+_laser
An initially non-aligned H2+ is exposed to a horizontally polarized cw laser.
The electronic density and the dipole momentum (red point) are shown. Due to the induced dipole moment, the molecule rotates towards the laser polarization axis (dynamical alignment), fragments and ionizes.
For polyatomic many-electron systems a complete study means:
Taking into account all nuclear and electronic DOF and treating all fragmentation and ionization channels. However, such calculations are not available at present.

  1. 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)

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

  3. 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).