相关论文: Ab initio ligand field approach to determine elect…

We theoretically study magnetic properties of two-component cold fermions in half-filled multilayer Lieb optical lattices, i.e., two, three, and several layers, using the dynamical mean-field theory. We clarify that the magnetic properties…

Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…

We study electronic properties of solids with correlated d electrons which could be described by a multiband Hubbard Hamiltonian in the weak-interaction case, $U/w<1$. The one-electron part of the many-body Hamiltonian is described by a…

We present calculated electron excitation spectra for the LaMO_3 series (M=Cr-Ni) obtained within ab-initio band structure calculations for the real geometric and magnetic structures. The calculated results show good agreement with the…

Within a spin-polarized LMTO approach in the Atomic-Sphere approximation we calculate ab initio the magnetic properties of various binary and ternary multilayers composed of Fe, Co, Ni, Cr, V and Cu. The emphasis lies on the indirect…

A new model for calculating nuclear level densities is investigated. The single-nucleon spectra are calculated in a relativistic mean-field model with energy-dependent effective mass, which yields a realistic density of single-particle…

We use the many techniques of alloy theory to study antiferromagnetic NiO, considered as an alloy of spin-up and spin-down Ni atoms. The questions are: the true antiferromagnetic ground state and the possibility of obtaining ferrimagnetic…

We analyze the spectroscopic features of bilayer graphene determined by the formation of pairs of low-energy and split bands in this material. We show that the inter-Landau-level absorption spectrum in bilayer graphene at high magnetic…

Proton imaging is a powerful tool for probing electromagnetic fields in a plasma, providing a path-integrated map of the field topology. However, in cases where the field structure is highly inhomogeneous, inferring spatial properties of…

An ab initio Hartree-Fock approach aimed at directly obtaining the localized orthogonal orbitals (Wannier functions) of a crystalline insulator is described in detail. The method is used to perform all-electron calculations on the ground…

Modern bandgap engineered electronic devices are typically made of multi-semiconductor multi-layer heterostructures that pose a major challenge to silicon-era characterization methods. As a result, contemporary bandgap engineering relies…

High-resolution absorption and laser spectroscopy are used to determine electronic energy levels for Ho$^{3+}$ ions in K$_2$YF$_5$ microparticles. A total of 72 crystal-field energy levels, distributed among 8 multiplets, are assigned. This…

We have evaluated the electromagnetic spectral function and its spectral properties by computing the one-loop photon polarization tensor in presence of magnetic field, particularly in a strong field approximation compared to the thermal…

We present a theoretical approach to calculate the {\it local} absorption spectrum of excitons confined in a semiconductor nanostructure. Using the density-matrix formalism, we derive a microscopic expression for the non-local…

Scanning tunneling spectroscopy is used to study the real-space local density of states (LDOS) of a two-dimensional electron system in magnetic field, in particular within higher Landau levels (LL). By Fourier transforming the LDOS, we find…

We have formulated and implemented a fully charge-self-consistent density functional theory plus dynamical mean field theory methodology which enables an efficient calculation of the total energy of realistic correlated electron systems.…

We provide precise predictions for the hard photon spectrum resulting from neutral SU$(2)_W$ triplet (wino) dark matter annihilation. Our calculation is performed utilizing an effective field theory expansion around the endpoint region…

We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…

Entanglement polytopes result in finitely many types of entanglement that can be detected by only measuring single-particle spectra. With high probability, however, the local spectra lie in more than one polytope, hence providing no…

Quantifying materials' dynamical responses to external electromagnetic fields is central to understanding their physical properties. Here we present an implementation of the density functional perturbation theory for the computation of…