Charge self-consistent electronic structure calculations with dynamical mean-field theory usingQuantum ESPRESSO, Wannier 90andTRIQS

Charge self-consistent electronic structure calculations with dynamical mean-field theory usingQuantum ESPRESSO, Wannier 90andTRIQS

We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combined with density functional theory (DFT) for electronic structure calculations of materials with strong electronic correlations. The implementation uses theQuantum ESPRESSOpackage for the DFT calculat...

Full description

Bibliographic Details
Main Authors: Beck, S. (Author), Ederer, C. (Author), Georges, A. (Author), Hampel, A. (Author), Parcollet, O. (Author)
Format: Article
Language:English
Published: NLM (Medline) 2022
Subjects:
ab initio calculation
article
density functional theory
dynamical mean-field theory
electron
electronic structure
Quantum ESPRESSO
strongly correlated electrons
theoretical study
TRIQS
Wannier90
Online Access:View Fulltext in Publisher

Internet

View Fulltext in Publisher

Similar Items