Research

After the contributions of our group to the methodological developments that enabled the application of embedded-cluster quantum chemical methods to the study of materials with optically active dopants (1986-1996), we are presently focused on the use of such methods for a deeper understanding of luminescent materials. These phosphors are key materials in several fields of societal interest, including energy efficient illumination, solar cells, or medical imaging.

quantum chemistry; ab initio; electronic structure; wave function; embedded cluster; excited states; f-elements; lanthanides; actinides; solids; point defects; luminescence; phosphors; scintillation materials; solid-state lighting; linear scaling.