Institute of Theoretical Physics

NA-QMD: Non-Adiabatic Quantum Molecular Dynamics


Theoretical Atomic and Molecular Physics Group

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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

"Transparency" in atom - metal cluster collisions

The energy loss ΔE in Na9+ + Na collisions as a function of the c.m. bombarding energy Ec.m. clearly shows a minimum at intermediate Ec.m. around 1 keV. Obviously, the corresponding impact velocity is too large to excite vibrations and still too small to excite electrons and, thus, the atom penetrates the cluster nearly freely ("Transparency") [1].
Total kinetic energy loss of relative motion ΔE in central Na9+ + Na collisions for a fixed collision geometry (see inset) as a function of the center-of-mass impact energy Ecm calculated with NA-QMD (solid line) and QMD (dotted line). Vibrational and electronic contributions to ΔE are distinguished by gray and light-gray shaded areas, respectively. (Fig. taken from [1])
The transparency effect results in a plateau of the fragmentation cross section σfrag as a function of Ec.m..
Total fragmentation cross sections as a function of Ecm calculated with NA-QMD (solid line). The circles are experimental data. (Fig. taken from [1])

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