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

We demonstrate how ab initio cluster calculations including the full Coulomb vertex can be done in the basis of the localized, generalized Wannier orbitals which describe the low-energy density functional (LDA) band structure of the…

The treatment of electronic correlations in open-shell systems is among the most challenging problems of condensed matter theory. Current approximations are only partly successful. Ligand field multiplet theory (LFMT) has been widely…

The electronic spectrum, energy gap and local magnetic moment of paramagnetic NiO are computed by using the local density approximation plus dynamical mean-field theory (LDA+DMFT). To this end the noninteracting Hamiltonian obtained within…

Landau level spectroscopy plays an important role in modern condensed-matter physics. In this technique, electrons in a solid are subjected to quantizing magnetic fields and probed experimentally, often through optical methods. Direct and…

The ground-state properties of superfluid nuclear systems with ^1S_0 pairing are studied within a local energy-density functional (LEDF) approach. A new form of the LEDF is proposed with a volume part which fits the Friedman- Pandharipande…

A recently developed dynamical mean-field theory in the iterated perturbation theory approximation was used as a basis for construction of the "first principles" calculation scheme for investigating electronic structure of strongly…

First-principles calculations with the full-potential linearized augmented plane-wave (FP-LAPW) method have been performed to investigate detailed electronic and linear optical properties of Sr$_{2}$CuO$_{2}$Cl$_{2}$, which is a classical…

The local electronic structure of Nd2CuO4 is determined from ab-initio cluster calculations in the framework of density functional theory. Spin-polarized calculations with different multiplicities enable a detailed study of the charge and…

First principles constrained density functional theory scheme in Wannier functions formalism has been used to calculate Coulomb repulsion U and Hund's exchange J parameters for iron 3d electrons in LaFeAsO. Results strongly depend on the…

We study the energy spectrum of a two-dimensional electron in the presence of both a perpendicular magnetic field and a potential. In the limit where the potential is small compared to the Landau level spacing, we show that the broadening…

The dynamical mean-field theory together with the non-crossing approximation is used to set up a novel scheme to study the electronic structure of strongly correlated electron systems. The non-interacting band structure is obtained from a…

A system of strongly interacting fermions in a solid state is discussed. A structure of singlet and triplet coupled 2-particle states and their excitation spectra are investigated. It is shown that an account of intersite fermion…

We calculate the energy spectrum of an electron moving in a two-dimensional lattice which is defined by an electric potential and an applied perpendicular magnetic field modulated by a periodic surface magnetization. The spatial direction…

In this paper, numerical methods are suggested to compute the discrete and the continuous spectrum of a signal with respect to the Zakharov-Shabat system, a Lax operator underlying numerous integrable communication channels including the…

We investigate multicomponent fermions in a flat band and predict experimental signatures of non-Fermi liquid behavior. We use dynamical mean-field theory to obtain the density, double occupancy and entropy in a Lieb lattice for…

Using a recently developed method combining a nonspherical self-interaction corrected LDA+$U$ scheme and an on-site multi-body Hamiltonian [Phys.\ Rev.\ B 83, 085106 (2011)], we calculate the crystal field parameters and crystal field (CF)…

We present a new approach to computing multiplets for core spectroscopies, whereby the crystal field is constructed explicitly from the positions and charges of surrounding atoms. The simplicity of the input allows the consideration of…

The static local-field factor (LFF) of the 2-D electron fluid is calculated {\it nonperturbatively} using a mapping to a classical Coulomb fluid $\lbrack$Phys. Rev. Lett., {\bf 87}, 206$\rbrack$. The LFF for the paramagnetic fluid {\it…

We obtain analytical expressions for the eigenstates and the Landau level spectrum of biased graphene bilayers in a magnetic field. The calculations are performed in the context of a four-band continuum model and generalize previous…

We develop a new, efficient, and general method to determine the Hofstadter spectrum of isolated narrow bands. The method works for topological as well as for trivial narrow bands by projecting the zero $\mathbf{B}$-field hybrid Wannier…