Merging GW with DMFT and non-local correlations beyond
- Author(s)
- J. M. Tomczak, P. Liu, Alessandro Toschi, G. Kresse, K. Held
- Abstract
We review recent developments in electronic structure calculations that go beyond state-of-the-art methods such as density functional theory (DFT) and dynamical mean field theory (DMFT). Specifically, we discuss the following methods: GW as implemented in the Vienna ab initio simulation package (VASP) with the self energy on the imaginary frequency axis, GW+DMFT, and ab initio dynamical vertex approximation (DΓA). The latter includes the physics of GW, DMFT and non-local correlations beyond, and allows for calculating (quantum) critical exponents. We present results obtained by the three methods with a focus on the benchmark material SrVO
3.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Technische Universität Wien, University of the Chinese Academy of Sciences
- Journal
- European Physical Journal. Special Topics
- Volume
- 226
- Pages
- 2565-2590
- No. of pages
- 26
- ISSN
- 1951-6355
- DOI
- https://doi.org/10.1140/epjst/e2017-70053-1
- Publication date
- 07-2017
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103025 Quantum mechanics, 103036 Theoretical physics, 103015 Condensed matter, 103009 Solid state physics
- Keywords
- ASJC Scopus subject areas
- General Physics and Astronomy, General Materials Science, Physical and Theoretical Chemistry
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/f6b89c0b-967e-4d76-a549-54c67cc51092