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Aufsatz
On the localization of electrons and holes in Hg_n and rare-gas clusters
(1994)
We have used a microscopic theory to study the size dependence of the degree of localization of the valence electrons and holes in neutral an ionized rare-gas and Hg_n clusters. We discuss under which circumstances localization of the electrons and holes is favoured. We have calculated the ionization potential of Xe_n, Kr_n and small Hg_n clusters. Good agreement with experiments is obtained. We have also determined the dependence of the ionization potential on cluster structure.
Dissertation
Application of Temporal Airy Pulses for investigating the origin of Laser Induced Periodic Surface Structures and for developing new tools in cell surgery and malignant tissue identification
(2023)
In this thesis, ultrashort Temporal Airy Pulses are used to study Laser Induced Periodic Surface Structures (LIPSS) in Part I and to enable the photoinjection of fluorescent markers into single living cells in Part II, Chapter 8. In both cases, the laser pulse excites a dielectric material (fused silica and water) and the special spatio-temporal dynamics of the interaction of a Temporal Airy Pulse with the dielectric is exploited to extend the shape of the excited region along the axis of laser propagation. For the ...
Habilitation
Computing Ground States for Fermi-Bose Mixtures through Efficient Numerical Methods
(2023-05)
In this work, we will first review the Quantum Mechanics theory to derive the main equations. Next, we will analyze these equations by Functional Analysis methods to find conditions for existence, uniqueness, multiplicity, and other properties as positivity. Next, we will review and develop some numerical methods for solving the nonlinear Schrödinger equation, its time version, generalizations with rotational terms, and systems of NLSE (NLSS). We notice that the main problem to run numerical methods is the memory ...
Dissertation
Adsorption kinetic investigations of phthalocyanine derivatives self assembled monolayers (SAMs) on gold: Temperature influence on the SAM formation process and quality
(2015-08-12)
The ordered nano-structured surfaces, like self-assembled monolayers (SAMs) are of a great scientific interest, due to the low cost, simplicity, and versatility of this method. SAMs found numerous of applications in molecular electronics, biochemistry and optical devices. Phthalocyanine (Pc) complexes are of particular interest for the SAM preparation. These molecules exhibit fascinating physical properties and are chemically and thermally stable. Moreover their complex structure is advantageous for the fabrication ...
Dissertation
Control of Open Quantum Systems: Examples & Methods for Non-Markovian Dynamics
(2023)
Usually open quantum systems are considered to be under the influence of noise and therefore faulty. On the other hand, a controlled system is regarded as something stable and predictable. It is often neglected, that the two aspects are very closely related. A perfectly isolated quantum system will not be subject to environmental influences, but this makes it also impossible to interact with it in any manner. Controlling and measuring such a system is impossible and therefore of no technical relevance. Every system ...
Aufsatz
Tomographic imaging of molecular orbitals in length and velocity form
(American Institute of Physics, 2007-11-29)
Recently Itatani et al. [Nature 432, 876 (2004)] introduced the new concept of molecular orbital tomography, where high harmonic generation (HHG) is used to image electronic wave functions. We describe an alternative reconstruction form, using momentum instead of dipole matrix elements for the electron recombination step in HHG. We show that using this velocity-form reconstruction, one obtains better results than using the original length-form reconstruction. We provide numerical evidence for our claim that one has ...
Aufsatz
Observation of two-electron-one-photon transitions in silicon
(1977)
We report on the observation of K\alpha\alpha X-rays of Si, produced in collisions of 15-28 MeV Si projectiles with various target atoms in the range Z =6 to 29. Energy shifts of X-rays were measured and are compared with theoretical predictions. Cross section ratios for emission of K\alpha\alpha and K\alpha radiation are given.
Aufsatz
Ionization potentials and radii of atoms and ions of element 104 (unnilquadium) and of hafnium (2+) derived from multiconfiguration Dirac-Fock calculations
(1990)
Multiconfiguration relativistic Dirac-Fock (MCDF) values have been computed for the first four ionization potentials (IPs) of element 104 (unnilquadium) and of the other group 4 elements (Ti, Zr, and Hf). Factors were calculated that allowed correction of the systematic errors between the MCDF IPs and the experimental IPs. Single "experimental" IPs evaluated in eV (to ± 0.1 eV) for element 104 are: [104(0),6.5]; [104( 1 + ),14.8]; [104(2 + ),23.8]; [104(3 + ),31.9]. Multiple experimental IPs evaluated in eV for element ...
Aufsatz
Ionization potentials and radii of atoms and ions of element 105 (unnilpentium) and ions of tantalum derived from multiconfiguration Dirac-Fock calculations
(1993)
Multiconfiguration relativistic Dirac-Fock (MCDF) values were calculated for the first five ionization potentials of element 105 (unnilpentium) and of the other group 5b elements (V, Nb, and Ta). Some of these ionization potentials in electron volts (eV) with uncertainties are: 105(0), 7.4±0.4; 105(1 +), 16.3 ±0.2; 105(2 +), 24.3 ± 0.2; 105(3 + ), 34.9 ± 0.5; and 105(4 + ), 44.9 ± 0.1. Ionization potentials for Ta(1+), Ta(2 +), and Ta(3 + ) were also calculated. Accurate experimental values for these ionization ...
Aufsatz
Prediction of some thermodynamic properties of selected compounds of element 104
(1991)
A set of parametrized equations has been published by Bratsch and Lagowski for calculating thermodynamic properties of the lanthanides, actinides, element 104, and certainrelated elements. Since these equations were applied to element 104, new values for the first four ionization energies and radii of the ions of charge +1, +2, +3, and +4 have been calculated for this element. The parametrized equations are used here with these new values to calculate some thermodynamic properties of element 104.