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A combination of Density Functional Theory and the Dynamical Mean Field theory (DMFT) is used to calculate the magnetic susceptibility, heat capacity, and the temperature dependence of the valence band photoemission spectra. The…
The electronic structure of small Hubbard molecules coupled between two non-interacting semi-infinite leads is studied in the low bias-voltage limit. To calculate the finite-temperature Green's function of the system, each lead is simulated…
Earlier theoretical results on $p$-$d$ and $d$-$d$ exchange interactions for zinc-blende semiconductors with $\mathrm{Cr}^{2{+}}$ and $\mathrm{Mn}^{3{+}}$ ions are revisited and extended by including contributions beyond the dominating…
We compute the electronic and emission properties of Coulomb-correlated multi-particle states (X$^0$, X$^\pm$, XX) in weakly confining GaAs/AlGaAs quantum dots using an 8-band $\mathbf{k}\!\cdot\!\mathbf{p}$ model coupled to continuum…
We present a joint implementation of dynamical-mean-field theory (DMFT) with the pseudopotential plane-wave approach, via Wannier functions, for the determination of the electronic properties of strongly correlated materials. The scheme…
We present an accurate implementation of total energy calculations into the local density approximation plus dynamical mean-field theory (LDA+DMFT) method. The electronic structure problem is solved through the full potential linear…
We study the thermal and non-thermal steady state scaling functions and the steady-state dynamics of a model of local quantum criticality. The model we consider, i.e. the pseudogap Kondo model, allows us to study the concept of effective…
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…
Correlation effects play an important role in the electronic structure of half-metallic (HM) magnets. In particular, they give rise to non-quasiparticle states above (or below) the Fermi energy at finite temperatures that reduce the spin…
In correlated electron materials, the application of many-body techniques for the study of interaction effects or unconventional superconductivity often requires the formulation of an effective low-energy model that contains only the…
We derive a general formalism for evaluating the high-frequency limit of the thermoelectric power of strongly correlated materials, which can be straightforwardly implemented in available first principles LDA+DMFT programs. We explore this…
The many-body theory of interacting electrons poses an intrinsically difficult problem that requires simplifying assumptions. For the determination of electronic screening properties of the Coulomb interaction, the Random Phase…
A nonequilibrium Green's functions (NEGF) approach for spatially inhomogeneous, strongly correlated artificial atoms is presented and applied to compute the time-dependent properties while starting from a (correlated) initial few-electron…
A systematic first-principle study is performed to calculate the lattice parameters, electronic structure, and thermodynamic properties of UN using the local-density approximation (LDA)+\emph{U} and the generalized gradient approximation…
We argue that, because of the quantum-entanglement, the local physics of the strongly-correlated materials at zero temperature is described in very good approximation by a simple generalized Gibbs distribution, which depends on a relatively…
We present a many-body approach to the electronic and magnetic properties of the (multiband) Kondo-lattice model with ferromagnetic interband exchange. The coupling between itinerant conduction electrons and localized magnetic moments…
The method of the effective action for the composite operators $\Phi^2(x)$ and $\Phi^4(x)$ is applied to the termodynamics of the scalar quantum field with $\lambda\Phi^4$ interaction. An expansion of the finite temperature effective…
We introduce an extension of the dynamical mean field approximation (DMFA) which retains the causal properties and generality of the DMFA, but allows for systematic inclusion of non-local corrections. Our technique maps the problem to a…
We present a construction of a mean-field theory for thermodynamic and spectral properties of correlated electrons reliable in the strong-coupling limit. We introduce an effective interaction determined self-consistently from the reduced…
Single-particle excitation spectra of gamma-Fe in the paramagnetic state have been investigated by means of the first-principles dynamical coherent potential approximation theory which has recently been developed. It is found that the…