Calculation of the electronic properties of neutral and ionized divalent-metal clusters

The electronic properties of neutral and ionized divalent-metal clusters have been studied using a microscopic theory, which takes into account the interplay between van der Waals (vdW) and covalent bonding in the neutral clusters, and the competition between hole delocalization and polarization energy in the ionized clusters. By calculating the ground-state energies of neutral and ionized. Hg_n clusters, we determine the size dependence of the bond character and the ionization potential I_p(n). For neutral Hg_n clusters we obtain a transition from van del Waals to covalent behaviour at the critical size n_c ~ 10-20 atoms. Results for I_p(Hg_n) with n \le 20 are in good agreement with experiments, and suggest that small Hg_n^+ clusters can be viewed as consisting of a positive trimer core Hg_3^+ surrounded by n - 3 polarized neutral atoms.

Thermodynamic functions of element 105 in neutral and ionized states

The basic thermodynamic functions, the entropy, free energy, and enthalpy, for element 105 (hahnium) in electronic configurations d^3 s^2, d^3 sp, and d^4s^1 and for its +5 ionized state (5f^14) have been calculated as a function of temperature. The data are based on the results of the calculations of the corresponding electronic states of element 105 using the multiconfiguration Dirac-Fock method.

Time-resolved studies of neutral and ionized Na_n clusters with femtosecond light pulses

The real-time dynamics of Na_n (n=3-21) cluster multiphoton ionization and fragmentation has been studied in beam experiments applying femtosecond pump-probe techniques in combination with ion and electron spectroscopy. Three dimensional wave packet motions in the trimer Na_3 ground state X and excited state B have been observed. We report the first study of cluster properties (energy, bandwidth and lifetime of intermediate resonances Na_n^*) with femtosecond laser pulses. The observation of four absorption resonances for the cluster Na_8 with different energy widths and different decay patterns is more difficult to interpret by surface plasmon like resonances than by molecular structure and dynamics. Timeresolved fragmentation of cluster ions Na_n^+ indicates that direct photo-induced fragmentation processes are more important at short times than the statistical unimolecular decay.

Analytical Study of Light Propagation in Highly Nonlinear Media

The present dissertation is devoted to the construction of exact and approximate analytical solutions of the problem of light propagation in highly nonlinear media. It is demonstrated that for many experimental conditions, the problem can be studied under the geometrical optics approximation with a sufficient accuracy. Based on the renormalization group symmetry analysis, exact analytical solutions of the eikonal equations with a higher order refractive index are constructed. A new analytical approach to the construction of approximate solutions is suggested. Based on it, approximate solutions for various boundary conditions, nonlinear refractive indices and dimensions are constructed. Exact analytical expressions for the nonlinear self-focusing positions are deduced. On the basis of the obtained solutions a general rule for the single filament intensity is derived; it is demonstrated that the scaling law (the functional dependence of the self-focusing position on the peak beam intensity) is defined by a form of the nonlinear refractive index but not the beam shape at the boundary. Comparisons of the obtained solutions with results of experiments and numerical simulations are discussed.

The Media is the Message?!

Diese Arbeit beschäftigt sich mit der grafischen Gestaltung von Mathematiklehrwerken und der damit verbundenen Wirkungen auf die SchülerInnen. Es wurde untersucht, welche Art von Gestaltungsaspekten in Schulbüchern eine positive Auswirkung auf die Lernmotivation hat. Im theoretischen Teil dieser Arbeit wird zunächst erläutert, wie der menschliche Wahrnehmungsapparat nach theoretischen Erkenntnissen aus der Wahrnehmungspsychologie visuelle Elemente wie Farbe und Form verarbeitet. Anhand gestaltpsychologischer und motivationspsychologischer Theorien werden mögliche Einflüsse und in diesem Zusammenhang bedeutungsvolle Aspekte aufgezeigt. Einzelne Funktionen und Wirkungsaspekte der einzelnen Medienbausteine wie Bild, Typografie und Bild-Text-Kombinationen werden anhand von Beispielen aus Mathematiklehrwerken dargestellt. Ein Exkurs über den vermehrten Einfluss der neuen Medien bei Kindern und Jugendlichen verdeutlicht, welche visuellen Medienerfahrungen Kinder und Jugendliche bei der Betrachtung eines Schulbuches mitbringen. Anschließend werden die erarbeiteten theoretischen Grundlagen in einer praktischen Arbeit genutzt. Eine exemplarisch ausgewählte Seite eines Mathematiklehrwerks werde unter verschiedenen gestalterischen Gesichtspunkten umgestaltet, so dass mehreren Varianten entstehen. Diese Entwürfe werden in einer qualitativen Studie mit einzelnen SchülerInnen diskutiert. Die Ergebnisse der aufgezeichneten Interviews wurden durch die Auswertungsmethode des zirkulären Dekonstruierens auf die aufgeworfenen Forschungsfragen untersucht und ausgewertet.

Detecting ultrafast interatomic electronic processes in media by fluorescence

Interatomic coulombic decay (ICD), a radiationless transition in weakly bonded systems, such as solutes or van der Waals bound aggregates, is an effective source for electrons of low kinetic energy. So far, the ICD processes could only be probed in ultra-high vacuum by using electron and/or ion spectroscopy. Here we show that resonant ICD processes can also be detected by measuring the subsequently emitted characteristic fluorescence radiation, which makes their study in dense media possible.