Extended dynamical mean-field theory and GW method
By Ping Sun, Gabriel Kotliar. 2002
153 citations recorded by the source corpus.
We develop the extended dynamical mean-field theory (E-DMFT) with a view towards realistic applications. (1) We introduce an intuitive derivation of the E-DMFT formalism. By identifying the Hartree contributions before the E-DMFT treatment, it allows us to handle systems in symmetry-breaking phases within a simple formalism. (2) We make an implementation of E-DMFT through a real Hubbard\char21{}Stratonovich transformation to decouple the nonlocal two-particle interactions. We apply it to a three-dimensional $U\ensuremath{-}V$ model, with U the on-site and V the nearest-neighbor interactions, and investigate the behavior of the various Green's functions, especially the density susceptibility, as the density instability is approached. We obtain the phase diagram at a finite temperature. (3) We present a formalism incorporating E-DMFT with cellular DMFT. (4) We suggest an improvement of the E-DMFT approach by combining it with a generalized GW method. The method combines the local self-energy from E-DMFT and the nonlocal ones from the perturbative calculation of $\mathrm{GW}.$ We apply the method to a one-dimensional $U\ensuremath{-}V$ model with two sublattices carrying different chemical potentials. By comparing with those from density matrix renormalization group calculations, we show that the results are shifted in the correct direction due to the $\mathrm{GW}$ contributions. (5) In order to handle the generic Coulomb repulsion within E-DMFT, we describe a method to tailor E-DMFT so that the proper momentum dependence can be kept in general response functions.
Subfields: Condensed Matter Physics
View Paper: https://www.semanticscholar.org/paper/fcd274034ae3d969b93af90b6444da3f7d7d543b
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In Condensed Matter Physics
- K. Haule
- A. Rubtsov
- Gabriel Kotliar
- Olivier Parcollet
- Hartmut Hafermann
- M. Katsnelson
- Michel Ferrero
- V. Oudovenko
Citations in the corpus
- Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory (2017, background): “For example, in the GW+DMFT approach (Biermann et al., 2003; Sun and Kotliar, 2002), this is the nonlocal screened exchange.”
- Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model (2020, methodology): “[232] P.”
- Electronic structure calculations with dynamical mean-field theory (2005, methodology): “At this point, the GW+EDMFT has been fully implemented on the one-band model Hamiltonian level Sun and Kotliar, 2002, 2004b .”