101 research outputs found
Evolution of electronic and ionic structure of Mg-clusters with the growth cluster size
The optimized structure and electronic properties of neutral and singly
charged magnesium clusters have been investigated using ab initio theoretical
methods based on density-functional theory and systematic post-Hartree-Fock
many-body perturbation theory accounting for all electrons in the system. We
have systematically calculated the optimized geometries of neutral and singly
charged magnesium clusters consisting of up to 21 atoms, electronic shell
closures, binding energies per atom, ionization potentials and the gap between
the highest occupied and the lowest unoccupied molecular orbitals. We have
investigated the transition to the hcp structure and metallic evolution of the
magnesium clusters, as well as the stability of linear chains and rings of
magnesium atoms. The results obtained are compared with the available
experimental data and the results of other theoretical works.Comment: 30 pages, 10 figures, 3 table
Abschied von Gustav Radbruch : geboren in LĂĽbeck am 21.11.1878, gestorben in Heidelberg am 23.11.1949
Verfassungs- und Verwaltungsrecht: Ein Aufopferungsanspruch kann nach dem in § 75 Einl. ALR enthaltenen Rechtsgrundsatz auch bei auf Gesetz beruhenden Eingriffen und auch bei Eingriffen in die körperliche Unversehrtheit (Impfschäden) gegeben sein... : BGH, 19.2.1953 - III ZR 208/51 (OLG Hamburg)
- …