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Aufsatz
Solution of the Hartree-Fock-Slater equations for diatomic molecules by the finite-element method
(1988)
We present the finite-element method in its application to solving quantum-mechanical problems for diatomic molecules. Results for Hartree-Fock calculations of H_2 and Hartree-Fock-Slater calculations for molecules like N_2 and CO are presented. The accuracy achieved with fewer than 5000 grid points for the total energies of these systems is 10^-8 a.u., which is about two orders of magnitude better than the accuracy of any other available method.
Aufsatz
Influence of occupation number of single particle levels on K - K charge transfer in collisions of 90 keV - Ne{^9+} on Ne
(1991)
The influence of the occupation of the single particle levels on the impact parameter dependent K - K charge transfer occuring in collisions of 90 keV Ne{^9+} on Ne was studied using coupled channel calculations. The energy eigenvalues and matrixelements for the single particle levels were taken from ab initio self consistent MO-LCAO-DIRAC-FOCK-SLATER calculations with occupation numbers corresponding to the single particle amplitudes given by the coupled channel calculations.
Dissertation
Vektorielle Quantenkontrolle an Molekülen mit Hilfe von maßgeschneiderten Femtosekundenlaserpulsen
(2008-08-07)
Diese Arbeit befasst sich mit zwei Aspekten der kohärenten Quantenkontrolle, die sich aus der räumlichen Struktur von Molekülen und der daraus folgenden Vektoreigenschaft der Laser-Molekül-Wechselwirkung ergeben.
Im ersten Teil der vorliegenden Arbeit wird zum ersten Mal experimentell gezeigt, dass es möglich ist, den vektoriellen Charakter der Licht-Molekül-Wechselwirkung gezielt zu einer besseren Kontrolle der Moleküldynamik auszunutzen. Dazu wurde in einem Molekularstrahlexperiment die Multi-Photonen-Ionisation ...
Dissertation
Preparation and applications of periodical gold nanoparticle arrays
(2009-07-14)
Diese Arbeit beschäftigt sich mit der Herstellung und Anwendungen von periodischen Goldnanopartikel-Arrays (PPAs), die mit Hilfe von Nanosphären-Lithografie hergestellt wurden. In Abhängigkeit der verwendeten Nanosphären-Größe wurden dabei entweder kleine dreieckige Nanopartikel (NP) (bei Verwendung von Nanosphären mit einem Durchmesser von 330 nm) oder große dreieckige NPD sowie leicht gestreckte NP (bei Verwendung von Nanosphären mit einem Durchmesser von 1390 nm) hergestellt. Die Charakterisierung der PPAs erfolgte ...
Aufsatz
Aphyllophoroid fungi in insular woodlands of eastern Ukraine
(2017-12-22)
Background
Fungi play crucial roles in ecosystems and are among the species-richest organism groups on Earth. However, knowledge on their occurrence lags behind the data for animals and plants. Recent analyses of fungal occurrence data from Western, Central and Northern Europe provided important insights into response of fungi to global warming. The consequences of the global changes for biodiversity on a larger geographical scale are not yet understood. Landscapes of Eastern Europe and particularly of eastern ...
Dissertation
Gröbnerbasen in Ore-Algebren
(2006-06-19)
In dieser Arbeit werden grundlegende Algorithmen für Ore-Algebren in Mathematica realisiert. Dabei entsteht eine Plattform um die speziellen Beschränkungen und Möglichkeiten dieser Algebren insbesondere im Zusammenhang mit Gröbnerbasen an praktischen Beispielen auszuloten. Im Gegensatz zu den existierenden Paketen wird dabei explizit die Struktur der Ore-Algebra benutzt. Kandri-Rody und Weispfenning untersuchten 1990 Verallgemeinerungen von Gröbnerbasen auf Algebren ordnungserhaltender Art (``algebras of solvable ...
Preprint
On the Gap-Complexity of Simple RL-Automata
(2006)
Analysis by reduction is a method used in linguistics for checking the correctness of sentences of natural languages. This method is modelled by restarting automata. All types of restarting automata considered in the literature up to now accept at least the deterministic context-free languages. Here we introduce and study a new type of restarting automaton, the so-called t-RL-automaton, which is an RL-automaton that is rather restricted in that it has a window of size one only, and that it works under a minimal ...
Preprint
Approximate solutions and error estimates for a Stokes boundary value problem
(2009)
The aim of this paper is the numerical treatment of a boundary value problem for the system of Stokes' equations. For this we extend the method of approximate approximations to boundary value problems. This method was introduced by V. Maz'ya in 1991 and has been used until now for the approximation of smooth functions defined on the whole space and for the approximation of volume potentials. In the present paper we develop an approximation procedure for the solution of the interior Dirichlet problem for the system ...
Preprint
Error estimates for approximate approximations on compact intervals
(2005)
The aim of this paper is the investigation of the error which results from the method of approximate approximations applied to functions defined on compact in-tervals, only. This method, which is based on an approximate partition of unity, was introduced by V. Mazya in 1991 and has mainly been used for functions defied on the whole space up to now. For the treatment of differential equations and boundary integral equations, however, an efficient approximation procedure on compact intervals is needed.
In the present ...
Dissertation
Magnetic interactions between transition metal impurities and clusters mediated by low-dimensional metallic hosts: A first principles theoretical investigation
(2015-03-31)
The magnetic properties and interactions between transition metal (TM) impurities and clusters in low-dimensional metallic hosts are studied using a first principles theoretical method. In the first part of this work, the effect of magnetic order in 3d-5d systems is addressed from the perspective of its influence on the enhancement of the magnetic anisotropy energy (MAE). In the second part, the possibility of using external electric fields (EFs) to control the magnetic properties and interactions between nanoparticles ...