Related papers: Anderson Impurity Mechanism for a Multi-Level Mode…
Hybrid density functionals, which replaces a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of delta-Plutonium. The…
The exact Green's functions of the periodic Anderson model for $U\to \infty $ are formally expressed within the cumulant expansion in terms of an effective cumulant. Here we resort to a calculation in which this quantity is approximated by…
We consider the Hubbard model with a magnetic Anderson impurity coupled to a lattice site. In the case of infinite dimensions, one-particle correlations of the impurity electron are described by the effective Hamiltonian of the two-impurity…
We consider the correlation of two single-particle probability densities $|\Psi_{E}({\bf r})|^{2}$ at coinciding points ${\bf r}$ as a function of the energy separation $\omega=|E-E'|$ for disordered tight-binding lattice models (the…
The low energy region of certain transition metal compounds reveals dramatic correlation effects between electrons, which can be studied by photoelectron spectroscopy. Theoretical investigations are often based on multi-orbital impurity…
A new ATSP2K module is presented for evaluating the electron density function of any multiconfiguration Hartree-Fock or configuration interaction wave function in the non relativistic or relativistic Breit-Pauli approximation. It is first…
We compare the trends on the strength of electronic correlations across the different phases of elemental Pu focusing on its site and orbital dependence, using a combination of density functional theory (DFT) and dynamical mean field theory…
We study a magnetic impurity embedded in a correlated electron system using the density-matrix renormalization group method. The correlated electron system is described by the one-dimensional Hubbard model. At half filling, we confirm that…
Plutonium-based compounds establish an ideal platform for exploring the interplay between long-standing itinerant-localized 5$f$ states and strongly correlated electronic states. In this paper, we exhaustively investigate the correlated…
We present a theoretical model of the electronic structure of delta-Pu that is consistent with many of the electronic structure related properties of this complex metal. In particular we show that the theory is capable of reproducing the…
The degenerate Anderson model with a nonlinear electron dispersion and an energy dependent hybridization is proven to exhibit hidden integrability and is diagonalized by the Bethe ansatz. If the impurity $f$-level energy lies below the…
We review a recently developed method, based on a pseudoparticle representation of correlated electrons, to describe both Fermi liquid and non-Fermi liquid behavior in quantum impurity systems. The role of the projection onto the physical…
The strong Coulomb correlations effects in the electronic structure of magnetic Co adatom on the Pt(111) surface have been investigated. Using a realistic five d-orbital impurity Anderson model at low temperatures with parameters determined…
We investigate a Kondo lattice model with correlated conduction electrons. Within dynamical mean-field theory the model maps onto an impurity model where the host has to be determined self-consistently. This impurity model can be derived…
We investigate the superconducting Anderson impurity model for interacting quantum dot Josephson junctions with spin-orbit coupling and a term accounting for tunnelling through higher-energy orbitals. These elements establish the conditions…
The electronic structures of the actinide elements U, Np, Pu, Am, Cm and Bk are investigated within the self-interaction corrected local spin density approximation. This method allows to describe a dual character of the 5f electrons, some…
The properties of a dilute electron gas, coupled to the lattice degrees of freedom, are studied and compared with the properties of an electron gas at half-filling, where spinless fermions with two orbitals per lattice site are considered.…
The magnetic ground state of FeRh is highly sensitive towards the lattice constant. This, in addition to partially filled d-shells of Fe and Rh, posed a significant challenge for Density Functional Theory (DFT) calculations in the past.…
(Pu) has an unusually rich phase diagram that includes seven distinct solid state phases and an unusually large 25% collapse in volume from its delta phase to its low temperature alpha phase via a series of structural transitions. Despite…
UTe$_{2}$ is a strong candidate for a topological spin-triplet superconductor, and it is considered that the interplay of magnetic fluctuation and superconductivity is essential for the origin of the superconductivity. Despite various…