To describe the physical properties of materials, ab initio approach is commonly employed. Most methods are based on density functional theory. However, for many transition metal compounds, such as oxide compounds, electronic correlation effects cannot be neglected. During the last decades, to cope with this problem, a number of theoretical methods have been developed. Among them, DFT+U and DFT+DMFT methods are commonly used to take into account electronic correlations and describe magnetic and spectral properties of many correlated compounds. Several illustrations for DFT+U and DFT+DMFT results will be given, including 3d transition metal oxide systems with spin and metal-insulator transitions and compounds based on f metals. ​ Please, pay attention, that the th. seminar is compulsory for theoretical crystals!

515 room​​ (Birzhevaya line, 14​)