Related papers: The Overlapping Muffin-Tin Approximation
In this work we study the two-orbital Hubbard model on a square lattice in the presence of hybridization between nearest-neighbor orbitals and a crystal-field splitting. We use a highly reliable numerical technique based on the density…
We study overlapping Schwarz methods for the Helmholtz equation posed in any dimension with large, real wavenumber and smooth variable wave speed. The radiation condition is approximated by a Cartesian perfectly-matched layer (PML). The…
A giant atom is an artificial matter configuration whose spatial scale is comparable to the wavelength of the interacting electromagnetic wave, such that the usual electric-dipole approximation is no longer valid. As a consequence, certain…
We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction W we tested three different plasmon-pole dielectric…
We develop the generalized rotating-wave approximation (GRWA) approach (Phys. Rev. Lett. 99, 173601 (2007)) to study the single-photon scattering on a two-level system (TLS) with arbitrarily strong coupling to a local mode in a…
We argue that the success of DFT can be understood in terms of a semiclassical expansion around a very specific limit. This limit was identified long ago by Lieb and Simon for the total electronic energy of a system. This is a universal…
We show that two seemingly unrelated problems - the trapping of an atom in an optical superlattice (OSL) and the libration of a planar rigid rotor in combined electric and optical fields - have isomorphic Hamiltonians. Formed by the…
We generalize the textbook Kronig-Penney model to realistic conditions for a quantum-particle moving in the quasi-one-dimensional (quasi-1D) waveguide, where motion in the transverse direction is confined by a harmonic trapping potential.…
We study the spin-fluctuation-mediated superconducting pairing gap in a weak-coupling approach to the Hubbard model for a two dimensional square lattice in the paramagnetic state. Performing a comprehensive theoretical study of the phase…
Using seven semiconductors/insulators with band gaps covering the range from 1 eV to 10 eV we systematically explore the performance of two different variants of self-consistency associated with famous Hedin's system of equations: the full…
In this article we present a method to compute the scattering states of holes in spherical bands in the strong spin-orbit coupling regime. More precisely, we calculate scattering phase shifts and amplitudes of holes induced by defects in a…
A consistent semiquantitative theoretical analysis of electronic Raman scattering from many-electron quantum dots under resonance excitation conditions has been performed. The theory is based on random-phase-approximation-like wave…
The Taylor Interpolation through FFT (TI-FFT) algorithm for the computation of the electromagnetic wave propagation in the quasi-planar geometry within the half-space is proposed in this article. There are two types of TI-FFT algorithm,…
In this work we propose two new, closely related, efficient basis sets for the electronic structure problem. The basis sets are based on the Muffin Tin Orbital (MTO) idea that the eigenstates of the Khon Sham (KS) Hamiltonian may we be…
Attempts to go beyond the local density approximation (LDA) of Density Functional Theory (DFT) have been increasingly based on the incorporation of more realistic Coulomb interactions. In their earliest implementations, methods like…
The perfectly matched layers method is a well known truncation technique for its efficiency and convenience in numerical implementations of wave scattering problems in unbounded domains. In this paper, we study the convergence of the…
A simple model coupling a one-dimensional beam particle to a one-dimensional harmonic oscillator is used to explore complementarity and entanglement. This model, well-known in the inelastic scattering literature, is presented under three…
We introduce a computational scheme for calculating the electronic structure of random alloys that includes electronic correlations within the framework of the combined density functional and dynamical mean-field theory. By making use of…
Calculations of Raman scattering intensities in spin 1/2 square-lattice Heisenberg model, using the Fleury-Loudon-Elliott theory, have so far been unable to describe the broad line shape and asymmetry of the two magnon peak found…
Consider the electromagnetic scattering of a time-harmonic plane wave by an open cavity which is embedded in a perfectly electrically conducting infinite ground plane. This paper is concerned with the numerical solutions of the transverse…