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Aufsatz
Finite element method for the accurate solution of diatomic molecules
(1989)
We present the Finite-Element-Method (FEM) in its application to quantum mechanical problems solving for diatomic molecules. Results for Hartree-Fock calculations of H_2 and Hartree-Fock-Slater calculations of molecules like N_2 and C0 have been obtained. The accuracy achieved with less then 5000 grid points for the total energies of these systems is 10_-8 a.u., which is demonstrated for N_2.
Aufsatz
Influence of the electronic shell structure on the elastic scattering of heavy ions
(1982)
The interatomic potential of the system I - I at intermediate and small distances is calculated from atomic DFS electron densities within a statistical model. Structures in the potential, due to the electronic shells, are investigated. Calculations of the elastic differential scattering cross section for small angles and several keV impact energies show a detailed peak pattern which can be correlated to individual electronic shell interaction.
Aufsatz
Interatomic potential structures in highly ionized scattering systems
(1983)
The interatomic potential of the ion-atom scattering system I^N+-I at small intermediate internuclear distances is calculated for different charge states N from atomic Dirac-Focker-Slater (DFS) electron densities within a statistical model. The behaviour of the potential structures, due to ionized electronic shells, is studied by calculations of classical elastic differential scattering cross-sections.
Aufsatz
Prediction of the azimuth angle dependence of the quasimolecular anisotropy in heavy ion collisions
(1979)
Within the quasimolecular (MO) kinematic dipole model we predict a strong dependence of the anisotropy of the MO radiation on the orientation of the heavy ion scattering plane relative to the direction of the photon detection plane.
Aufsatz
New calculations of P(b) curves for 1s_\sigma excitation in low-Z (Z\le10) ion-atom scattering
(1986)
Ab initio fully relativistic SCF molecular calculations of energy eigenvalues as well as coupling-matrix elements are used to calculate the 1s_\sigma excitation differential cross section for Ne-Ne and Ne-O in ion-atom collisions. A relativistic perturbation treatment which allows a direct comparison with analogous non-relativistic calculations is also performed.
Aufsatz
Note on the quasimolecular M radiation in very heavy collision systems
(1976)
The quasimolecular M radiation emitted in collisions between Xe ions of up to 6 MeV energy and solid targets of Ta, Au, Pb and Bi, as well as a gaseous target of Pb(CH_3)_4, has been studied. Using a realistic theoretical correlation diagram, a semiquantitative explanation of the observed peak structure is given.
Aufsatz
An ab-initio calculation of the Coulomb explosion of N_2 after heavy-ion bombardement
(1978)
Self-consistent-field calculations for the total potential energy of highly ionized N_2 molecules are presented. We compare these calculations to the experimentally observed energy released in the Coulomb explosion of ionized N_2 molecules created after collision with fast heavy ions. The most important electronic states of the fragment ions are determined.
Aufsatz
H_2 solved by the finite element method
(1987)
We report on the solution of the Hartree-Fock equations for the ground state of the H_2 molecule using the finite element method. Both the Hartree-Fock and the Poisson equations are solved with this method to an accuracy of 10^-8 using only 26 x 11 grid points in two dimensions. A 41 x 16 grid gives a new Hartree-Fock benchmark to ten-figure accuracy.
Dissertation
Fabrication and Investigation of Diamond Membranes for Photonic Nanostructures
(2023)
Due to its exceptional physical and chemical characteristics, diamond in a form of thin membranes is a particularly promising material for the fabrication of high-quality photonic devices. Especially for envisioned applications in quantum information technologies and communication, diamond gained, as a host material, an ever-increasing scientific interest based on remarkable properties of different color centers in its crystal lattice, e.g. nitrogen-vacancy centers, serving as single-photon emitters. As a high index ...
Dissertation
Ab initio Molecular Dynamics Simulations of the Structural Response of Solids to Ultrashort Laser and XUV Pulses
(2015-04-10)
The theoretical model and underlying physics described in this thesis are about the interaction of femtosecond-laser and XUV pulses with solids. The key to understand the basics of such interaction is to study the structural response of the materials after laser interaction. Depending on the laser characteristics, laser-solid interaction can result in a wide range of structural responses such as solid-solid phase transitions, vacuum phonon squeezing, ultrafast melting, generation of coherent phonons, etc. During my ...