AVS 64th International Symposium & Exhibition
    Actinides and Rare Earths Focus Topic Tuesday Sessions

Session AC+MI+SA+SU-TuA
Actinide and Rare Earth Theory

Tuesday, October 31, 2017, 2:20 pm, Room 22
Moderator: Ladislav Havela, Charles University, Prague, Czech Republic


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Click a paper to see the details. Presenters are shown in bold type.

2:20pm AC+MI+SA+SU-TuA1 Invited Paper
Magnetic Susceptibility, Magnetic Resonance, and Bonding in Actinide Complexes: Ab-initio Calculations
Jochen Autschbach, University of Buffalo, SUNY
3:00pm AC+MI+SA+SU-TuA3 Invited Paper
Combining DMRG with Standard Relativistic Multireference Methods to Probe the Properties of Strongly Correlated Systems: Plutonium Oxides
Valérie Vallet, S. Kervazo, CNRS / University of Lille, France, F. Réal, University of Lille, France, A. Severo Pereira Gomes, CNRS / University of Lille, France, F. Virot, IRSN, France
5:00pm AC+MI+SA+SU-TuA9
The Thermal Expansion of UC and UO2 from First Principles Calculations - The Importance of Correlations Effects and Spin-orbit Coupling
Dominik Legut, IT4Innovations Center, VSB - Technical University of Ostrava, Czech Republic, U.D. Wdowik, Pedagogical University, Poland, P. Piekarz, Polish Academy of Sciences, Poland, G. Jaglo, Pedagogical University, Poland, L. Havela, Charles University, Prague, Czech Republic