Project Details
Projekt
Accurate wave functions for open-shell atoms including open d- and f-shell elements
Applicant
Professor Dr. Stephan Fritzsche
Subject Area
Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
Term
from 2003 to 2008
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 5412664
During recent years, the RATIP package has been found useful for studying the level structures and the behaviour of open-shell atoms and ions. Today, therefore, this program is applied not only by several groups worldwide but also helps provide theoretical (ab-initio) data for a large variety of atomic and ionic processes. However, a number of further improvements are still needed in order to make RATIP suitable for open d and f shell elements as well as for the study of inner-shell phenomena. Among several other requirements, the primary interest concerns, for instance, (i) an acceleration in the set-up of large Hamiltonian matrices, (ii) the incorporation of all dominant interactions into the self-consistent-field of the atom, as well as (iii) a higher accuracy in the quadrature of the interaction strengths and transition amplitudes. For many open-shell structures, an accuracy of about 10-10, ..., 10-12 appears to be desirable. Therefore, the aim of the present project is to investigate new techniques which help generate accurate wave functions also for open d and f shell elements in the future.
DFG Programme
Priority Programmes
