Towards a minimal description of dynamical correlation in metals
Abstract
Dynamical correlations and non-local contributions beyond static mean-field theories are of fundamental importance for describing the electronic structure of correlated metals. Their effects are usually described with many-body approaches and non-local dynamical self-energies. We suggest here a class of simple model self-energies that are a generalization of the static DFT + Hubbard approach. This formulation, for simplicity called DFT+U({\omega})+V, provides an intuitive physical picture, a lightweight implementation, and displays very good agreement with experimental data.
- Publication:
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arXiv e-prints
- Pub Date:
- September 2023
- DOI:
- 10.48550/arXiv.2309.12144
- arXiv:
- arXiv:2309.12144
- Bibcode:
- 2023arXiv230912144V
- Keywords:
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- Condensed Matter - Strongly Correlated Electrons;
- Condensed Matter - Other Condensed Matter