Modelling of X-ray spectra on the basis of ab initio relativistic calculations

Valuable information about the electronic structure of atoms and molecules.

El Dr. Karol Koziol de Nicolaus Copernicus University. Torun, Poland, el 20 de diciembre de 2013 offer a seminario X-ray emission spectroscopy (XES).

The reliable interpretation of high-resolution X-ray spectra is a challenge for modern quantum-mechanics computational methods. The fully relativistic multi-configuration Dirac-Hartree-Fock method (MCDF) is currently the most popular ab initio approach for determining the parameters of the atomic states and the X-ray transitions.

The seminar will be focused on the modelling of X-ray spectra on the basis of relativistic MCDF calculation. The ab initio determination of the X-ray linewidths and lifetimes of hole states will be also discussed.