Related papers: Numerically improved computational scheme for the …
We propose a fast and scalable algorithm to project a given density on a set of structured measures defined over a compact 2D domain. The measures can be discrete or supported on curves for instance. The proposed principle and algorithm are…
An approach to analyzing the spinor wave functions that appear in the electronic structure calculations when taking the spin-orbit interaction into account is developed. It is based on the projection analysis of angular parts of wave…
Using Quantum Monte Carlo we compute thermodynamics and spectra for the orbitally degenerate Hubbard model in infinite spatial dimensions. With increasing orbital degeneracy we find in the one-particle spectra: broader Hubbard bands…
The explicit semiclassical treatment of logarithmic perturbation theory for the bound-state problem within the framework of the radial Klein-Gordon equation with attractive real-analytic screened Coulomb potentials, contained time-component…
We review some aspects of the realistic implementation of the dynamical mean-field method. We extend the techniques introduced in Ref.[A. Georges, G. Kotliar, W. Krauth, and M.J. Rozenberg, Rev. Mod. Phys. 68, 13 (1996)] to include the…
The increasing complexity of advanced materials with anisotropic thermal properties necessitates more generic and efficient methods to determine three-dimensional (3D) anisotropic thermal conductivity tensors with up to six independent…
Topological insulators are characterized by insulating bulk states and robust metallic surface states. Band inversion is a hallmark of topological insulators: at time-reversal invariant points in the Brillouin zone, spin-orbit coupling…
The third-rank tensor of the static spin Hall conductivity is investigated for two-dimensional (2D) topological insulators by electronic structure calculations. Its seeming quantization is numerically demonstrated for highly symmetric…
We coherently manipulate spin correlations in a two-component atomic Fermi gas loaded into an optical lattice using spatially and time-resolved Ramsey spectroscopy combined with high-resolution \textit{in situ} imaging. This novel technique…
In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…
This paper advocates for an innovative approach designed for estimating optoelectronic properties of quantum structures utilizing Tight-Binding (TB) theory. Predicated on the comparative analysis between estimated and actual properties, the…
Tight-binding models provide great insight and are a low-cost alternative to \emph{ab initio} methods for calculation of a material's electronic structure. These models are used to calculate optical responses, including nonlinear optical…
The conductivity tensor is introduced for the low-dimensional electron systems. Within the particle-in-a-box model and the diagonal response approximation, components of the conductivity tensor for a quasi-homogeneous ultrathin metal film…
A new method for locating analytically critical temperatures is discussed. It is exact for selfdual systems. When applied the two coupled layers of Ising spins it deviates from our preliminary Monte Carlo estimates by 1.5 standard…
A method to analyze optical transitions is developed by combining the Kubo-Greenwood formula with the unfolding method to construct an unfolded electronic band structure with optical transition weights, which allows us to investigate how…
We present a nonlinear stabilized Lagrange-Galerkin scheme for the Oseen-type Peterlin viscoelastic model. Our scheme is a combination of the method of characteristics and Brezzi-Pitk\"aranta's stabilization method for the conforming linear…
The integration of gyroscope measurements is an essential task for most navigation systems. Modern vehicles typically use strapdown systems, such that gyro integration requires coning compensation to account for the sensor's rotation during…
An efficient order$-N$ real-space Kubo approach is developed for the calculation of the thermal conductivity of complex disordered materials. The method, which is based on the Chebyshev polynomial expansion of the time evolution operator…
Steepest descent methods combining complex contour deformation with numerical quadrature provide an efficient and accurate approach for the evaluation of highly oscillatory integrals. However, unless the phase function governing the…
In this article we present an improved exact inversion formula for the 3D cone beam transform of vector fields. It is well known that only the solenoidal part of a vector field can be determined by the longitudinal ray transform of a vector…