Electronic structure calculations for correlated materials - where do we stand?
Event details
| Date | 20.04.2015 |
| Hour | 13:15 › 14:15 |
| Speaker | Prof. Silke Biermann, Ecole Polytechnique Centre de Physique Théorique (CPHT) Paris |
| Location | |
| Category | Conferences - Seminars |
The field of electronic structure calculations for materials
with strong electronic Coulomb correlations has witnessed
tremendous progress in recent years due to the development
of combined electronic structure and many body theory.
We will give an introduction to the field, illustrated
by examples of rare earth compounds [1], transition metal
oxides [2], and adatom systems on surfaces [3].
On these examples we will discuss the different flavors
that the consequences of electronic Coulomb correlations
can take, and connect them to current developments and
open challenges. In particular, we will outline recent
considerations on a double counting-free interfacing of
ab initio techniques and many-body theory [4]. These
ideas also suggest a new view on the Kohn-Sham band
structure of density functional theory for weakly
correlated systems [5].
[1] J.M. Tomczak, et al., Proc. Nat. Ac. Sci. USA 110 (2013) 904.
[2] J.M. Tomczak, et al., PRB 90 165138 (2014)
[3] P. Hansmann, et al., Phys. Rev. Lett. 110 (2013) 166401.
[4] A. van Roekeghem et al., PRL 113 266403 (2014)
[5] A. van Roekeghem and S. Biermann, Europhysics
Letters 108, 57003 (2014)
with strong electronic Coulomb correlations has witnessed
tremendous progress in recent years due to the development
of combined electronic structure and many body theory.
We will give an introduction to the field, illustrated
by examples of rare earth compounds [1], transition metal
oxides [2], and adatom systems on surfaces [3].
On these examples we will discuss the different flavors
that the consequences of electronic Coulomb correlations
can take, and connect them to current developments and
open challenges. In particular, we will outline recent
considerations on a double counting-free interfacing of
ab initio techniques and many-body theory [4]. These
ideas also suggest a new view on the Kohn-Sham band
structure of density functional theory for weakly
correlated systems [5].
[1] J.M. Tomczak, et al., Proc. Nat. Ac. Sci. USA 110 (2013) 904.
[2] J.M. Tomczak, et al., PRB 90 165138 (2014)
[3] P. Hansmann, et al., Phys. Rev. Lett. 110 (2013) 166401.
[4] A. van Roekeghem et al., PRL 113 266403 (2014)
[5] A. van Roekeghem and S. Biermann, Europhysics
Letters 108, 57003 (2014)
Links
Practical information
- General public
- Free
Organizer
- Fabien Sorin
Contact
- Fabien Sorin