Fermionic Molecular Dynamics

A quantum molecular model for fermions is investigated which works with antisymmetrized many-body states composed of localized single-particle wave packets. The application to the description of atomic nuclei and collisions between them shows that the model is capable to address a rich variety of observed phenomena. Among them are shell effects, cluster structure and intrinsic deformation in ground states of nuclei as well as fusion, incomplete fusion, dissipative binary collisions and multifragmentation in reactions depending on impact parameter and beam energy. Thermodynamic properties studied with long time simulations proof that the model obeys Fermi-Dirac statistics and time averaging is equivalent to ensemble averaging. A first order liquid-gas phase transition is observed at a boiling temperature of $T \approx 5 MeV$ for finite nuclei of mass $16...40$.Comment: 61 pages, several postscript figures, uses 'epsfig.sty'. Report to be published in Prog. Part. Nucl. Phys. 39. More information available at http://www.gsi.de/~schnack/fmd.htm

Theory and applications of free-electron vortex states

Both classical and quantum waves can form vortices: with helical phase fronts and azimuthal current densities. These features determine the intrinsic orbital angular momentum carried by localized vortex states. In the past 25 years, optical vortex beams have become an inherent part of modern optics, with many remarkable achievements and applications. In the past decade, it has been realized and demonstrated that such vortex beams or wavepackets can also appear in free electron waves, in particular, in electron microscopy. Interest in free-electron vortex states quickly spread over different areas of physics: from basic aspects of quantum mechanics, via applications for fine probing of matter (including individual atoms), to high-energy particle collision and radiation processes. Here we provide a comprehensive review of theoretical and experimental studies in this emerging field of research. We describe the main properties of electron vortex states, experimental achievements and possible applications within transmission electron microscopy, as well as the possible role of vortex electrons in relativistic and high-energy processes. We aim to provide a balanced description including a pedagogical introduction, solid theoretical basis, and a wide range of practical details. Special attention is paid to translate theoretical insights into suggestions for future experiments, in electron microscopy and beyond, in any situation where free electrons occur.Comment: 87 pages, 34 figure

Reactions at surfaces studied by ab initio dynamics calculations

Due to the development of efficient algorithms and the improvement of computer power it is now possible to map out potential energy surfaces (PES) of reactions at surfaces in great detail. This achievement has been accompanied by an increased effort in the dynamical simulation of processes on surfaces. The paradigm for simple reactions at surfaces -- the dissociation of hydrogen on metal surfaces -- can now be treated fully quantum dynamically in the molecular degrees of freedom from first principles, i.e., without invoking any adjustable parameters. This relatively new field of ab initio dynamics simulations of reactions at surfaces will be reviewed. Mainly the dissociation of hydrogen on clean and adsorbate covered metal surfaces and on semiconductor surfaces will be discussed. In addition, the ab initio molecular dynamics treatment of reactions of hydrogen atoms with hydrogen-passivated semiconductor surfaces and recent achievements in the ab initio description of laser-induced desorption and further developments will be addressed.Comment: 33 pages, 19 figures, submitted to Surf. Sci. Rep. Other related publications can be found at http://www.rz-berlin.mpg.de/th/paper.htm

Matrix-valued Quantum Lattice Boltzmann Method

We devise a lattice Boltzmann method (LBM) for a matrix-valued quantum Boltzmann equation, with the classical Maxwell distribution replaced by Fermi-Dirac functions. To accommodate the spin density matrix, the distribution functions become 2 x 2 matrix-valued. From an analytic perspective, the efficient, commonly used BGK approximation of the collision operator is valid in the present setting. The numerical scheme could leverage the principles of LBM for simulating complex spin systems, with applications to spintronics.Comment: 18 page

A Study of molecular cooling via Sisyphus processes

We present a study of Sisyphus cooling of molecules: the scattering of a single-photon remove a substantial amount of the molecular kinetic energy and an optical pumping step allow to repeat the process. A review of the produced cold molecules so far indicates that the method can be implemented for most of them, making it a promising method able to produce a large sample of molecules at sub-mK temperature. Considerations of the required experimental parameters, for instance the laser power and linewidth or the trap anisotropy and dimensionality, are given. Rate equations, as well as scattering and dipolar forces, are solved using Kinetic Monte Carlo methods for several lasers and several levels. For NH molecules, such detailed simulation predicts a 1000-fold temperature reduction and an increase of the phase space density by a factor of 10^7 . Even in the case of molecules with both low Franck-Condon coefficients and a non-closed pumping scheme, 60% of trapped molecules can be cooled from 100 mK to sub-mK temperature in few seconds. Additionally, these methods can be applied to continuously decelerate and cool a molecular bea

Nonlinear aspects of quantum plasma physics

Dense quantum plasmas are ubiquitous in planetary interiors and in compact astrophysical objects, in semiconductors and micro-mechanical systems, as well as in the next generation intense laser-solid density plasma interaction experiments and in quantum x-ray free-electron lasers. In contrast to classical plasmas, one encounters extremely high plasma number density and low temperature in quantum plasmas. The latter are composed of electrons, positrons and holes, which are degenerate. Positrons (holes) have the same (slightly different) mass as electrons, but opposite charge. The degenerate charged particles (electrons, positrons, holes) follow the Fermi-Dirac statistics. In quantum plasmas, there are new forces associated with i) quantum statistical electron and positron pressures, ii) electron and positron tunneling through the Bohm potential, and iii) electron and positron angular momentum spin. Inclusion of these quantum forces provides possibility of very high-frequency dispersive electrostatic and electromagnetic waves (e.g. in the hard x-ray and gamma rays regimes) having extremely short wavelengths. In this review paper, we present theoretical backgrounds for some important nonlinear aspects of wave-wave and wave-electron interactions in dense quantum plasmas. Specifically, we shall focus on nonlinear electrostatic electron and ion plasma waves, novel aspects of 3D quantum electron fluid turbulence, as well as nonlinearly coupled intense electromagnetic waves and localized plasma wave structures. Also discussed are the phase space kinetic structures and mechanisms that can generate quasi-stationary magnetic fields in dense quantum plasmas. The influence of the external magnetic field and the electron angular momentum spin on the electromagnetic wave dynamics is discussed.Comment: 42 pages, 20 figures, accepted for publication in Physics-Uspekh