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Condensed Matter Seminars

ics Condensed Matter
Tuesday, May 17, 2016
2:00 PM
Physics Building, Room 313
Note special date.
Note special time.
Jun Liu [Host: Gia-Wei Chern]
Ames Lab
"Gutzwiller paradigm and its first ab initio implementation in molecular and lattice systems"
ABSTRACT:

Predicting material-specific physical properties is always a fascinating goal of physics research. The current state-of-the-art methods for doing this are the density function theory (DFT) and its derivatives for lattice systems and Quantum Chemistry approaches for molecular systems. However, their performance is hindered when being applied to strongly correlated systems either due to their intrinsic limitations of being only valid in weakly correlated systems or not truly ab initio, or limited by system and basis set sizes. Thus it is highly expected to come up with new ideas to help tackle this research goal. In this talk, I will discuss the possibility of having such an alternative line of thought based on Gutzwiller wavefunction and effective Kohn-Sham Hamiltonian, and introduce an implementation of this idea in our recent work. Discussion on alternative implementations, generality to different phases and interactions will be provided.

To add a speaker, send an email to phys-speakers@Virginia.EDU. Please include the seminar type (e.g. Condensed Matter Seminars), date, name of the speaker, title of talk, and an abstract (if available).