Temperature and bath size in exact diagonalization dynamical mean field theory

Multisite versus multiorbital Coulomb correlations studied within finite-temperature exact diagonalization dynamical mean-field theory

The influence of short-range Coulomb correlations on the Mott transition in the single-band Hubbard model at half filling is studied within cellular dynamical mean-field theory for square and triangular lattices. Finitetemperature exact diagonalization is used to investigate correlations within two-, three-, and four-site clusters. Transforming the nonlocal self-energy from a site basis to a mo...

Bath optimization in the cellular dynamical mean-field theory

In the cellular dynamical mean-field theory CDMFT , a strongly correlated system is represented by a small cluster of correlated sites, coupled to an adjustable bath of uncorrelated sites simulating the cluster’s environment; the parameters governing the bath are set by a self-consistency condition involving the local Green’s function and the lattice electron dispersion. Solving the cluster pro...

Dynamical mean-field theory

Exact Double Counting in Combining the Dynamical Mean Field Theory and the Density Functional Theory.

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 structure methods, such as the density functional theory; double counting. The implementation of this exact double counting shows improved agreement between the theory and experiment in several correlated solids, such as the ...

Nonequilibrium dynamical mean-field theory.

The many-body formalism for dynamical mean-field theory is extended to treat nonequilibrium problems. We illustrate how the formalism works by examining the transient decay of the oscillating current that is driven by a large electric field turned on at time t=0. We show how the Bloch oscillations are quenched by the electron-electron interactions, and how their character changes dramatically f...