Multiplet Structure Calculations for Rare Earth lons.

Structure of Rare-Earth Aluminosilicate Glasses Probed by Solid-State NMR Spectroscopy and Quantum Chemical Calculations

Results presented in this thesis are based on the following publications, which are referred to by the corresponding roman numbers I-IV: Reprints were made with the permission from the publishers.

Cluster calculations of rare-earth ions in semiconductors.

Structure of Rare-earth/Alkali Halide Complexes

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

NMR parameters in alkali, alkaline earth and rare earth fluorides from first principle calculations.

(19)F isotropic chemical shifts for alkali, alkaline earth and rare earth of column 3 basic fluorides are measured and the corresponding isotropic chemical shieldings are calculated using the GIPAW method. When using the PBE exchange-correlation functional for the treatment of the cationic localized empty orbitals of Ca(2+), Sc(3+) (3d) and La(3+) (4f), a correction is needed to accurately calc...

Rare earth spectrocopy for biophotonics

Luminescence is now extensively used in biology since it constitutes as a very sensitive way of investigations. Several applications of fluorescence concern immunoassays, DNA hybridization, protein interactions, cell imaging, Lab-on-chip etc.;; As non biological fluorescent probes, organic dye molecules and semiconductors quantum dots are the most popular. However, they suffer from drawbacks wh...