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Seminar on Theoretical and Computational Physics:
TitleFirst-principles Density Functional Theory descriptions of van der Waals interaction in molecular systems
SpeakerDr. Nguyen Huy Viet
AffiliationCenter for Computational Physics
DateTuesday, 26-04-2011
Time10:00
LocationMeeting room on the 1st floor, Institute of Physics, 10 Dao Tan, Ba Dinh, Hanoi
AbstractDespite many spectacular successes, Density Functional Theory (DFT) within the widely used local or semi-local approximations for exchange-correlation energy fails to properly describe systems where long-range van der Waals interaction plays a dominant role. In this talk, after introducing the fundamentals of DFT method, I will review recent methodological developments to treat van der Waals interaction in DFT.