Tuesday, December 14, 2021
MLIT Room 310, Online seminar via Webex
V.Yu. Yushankhai, L.A. Siurakshina

Computational methods of quantum chemistry and relativistic effects in the electronic structure of heavy and superheavy elements

With an increase in the atomic number Z, a quantum description of the electronic structure of heavy elements and their chemical compounds can be achieved only in the relativistic approach. The report gives a general overview of methods of computational quantum chemistry in their development from the non-relativistic to relativistic limit. The results of applying these methods to describe a number of specific physical and chemical characteristics of systems containing the elements of the 6th and 7th periods of the Periodic Table are also considered.

More information on the seminar and the link to connect via Webex are available at Indico