Temperature and bath size in exact diagonalization dynamical mean field theory

A Liebsch, H Ishida - Journal of Physics: Condensed Matter, 2011 - iopscience.iop.org
Dynamical mean field theory (DMFT), combined with finite-temperature exact
diagonalization, is one of the methods used to describe electronic properties of strongly …

Electronic structure calculations using dynamical mean field theory

K Held - Advances in physics, 2007 - Taylor & Francis
The calculation of the electronic properties of materials is an important task of solid-state
theory, albeit particularly difficult if electronic correlations are strong, eg, in transition metals …

Dynamical mean-field theory and its applications to real materials

D Vollhardt, K Held, G Keller, R Bulla… - Journal of the Physical …, 2005 - journals.jps.jp
Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of
correlated electron systems. Its combination with the local density approximation (LDA) has …

Exact diagonalization solver for extended dynamical mean-field theory

D Medvedeva, S Iskakov, F Krien, VV Mazurenko… - Physical Review B, 2017 - APS
We present an efficient exact diagonalization scheme for the extended dynamical mean-field
theory and apply it to the extended Hubbard model on the square lattice with nonlocal …

Diagrammatic Monte Carlo approach for diagrammatic extensions of dynamical mean-field theory: Convergence analysis of the dual fermion technique

J Gukelberger, E Kozik, H Hafermann - Physical Review B, 2017 - APS
The dual fermion approach provides a formally exact prescription for calculating properties
of a correlated electron system in terms of a diagrammatic expansion around dynamical …

Exact double counting in combining the dynamical mean field theory and the density functional theory

K Haule - Physical review letters, 2015 - APS
We propose a continuum representation of the dynamical mean field theory, in which we
were able to derive an exact overlap between the dynamical mean field theory and band …

Self-consistency over the charge density in dynamical mean-field theory: A linear muffin-tin implementation and some physical implications

LV Pourovskii, B Amadon, S Biermann… - Physical Review B …, 2007 - APS
We present a simple implementation of the dynamical mean-field-theory approach to the
electronic structure of strongly correlated materials. This implementation achieves full self …

Dynamical mean-field theory using Wannier functions: A flexible route to electronic structure calculations of strongly correlated materials

F Lechermann, A Georges, A Poteryaev… - Physical Review B …, 2006 - APS
A versatile method for combining density functional theory in the local density approximation
with dynamical mean-field theory (DMFT) is presented. Starting from a general basis …

Realistic investigations of correlated electron systems with LDA+ DMFT

K Held, IA Nekrasov, G Keller, V Eyert… - … status solidi (b), 2006 - Wiley Online Library
Conventional band structure calculations in the local density approximation (LDA)[1–3] are
highly successful for many materials, but miss important aspects of the physics and …

Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals

B Amadon, F Lechermann, A Georges, F Jollet… - Physical Review B …, 2008 - APS
The description of realistic strongly correlated systems has recently advanced through the
combination of density functional theory in the local density approximation (LDA) and …