相关论文: Spectral and Fermi surface properties from Wannier…
Spectral averaging techniques for one-dimensional discrete Schroedinger operators are revisited and extended. In particular, simultaneous averaging over several parameters is discussed. Special focus is put on proving lower bounds on the…
A new scheme for the computation of dispersive interactions from first principles is presented. This cost-effective approach relies on a Wannier function representation compatible with density function theory descriptions. This is an…
We present a real-frequency third-order strong-coupling impurity solver which employs quantics tensor cross interpolation (QTCI) for an efficient evaluation of the diagram weights. Applying the method to dynamical mean-field theory (DMFT)…
We present a theoretical method for calculating optical absorption spectra based on maximally localized Wannier functions, which is suitable for large periodic systems. For this purpose, we calculate the exciton Hamiltonian, which…
A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn's method and L\"owdin method such that…
We develop a computational workflow for high-throughput Wannierization of density functional theory (DFT) based electronic band structure calculations. We apply this workflow to 1771 materials, and we create a database with the resulting…
We calculate the two-point Green's functions of operators dual to fermions of maximal gauged supergravity in four and five dimensions, in finite temperature backgrounds with finite charge density. The numerical method used in these…
Fermi surface topology plays an important role in determining the electronic properties of metals. In bulk metals, the Fermi energy is not easily tunable at the energy scale needed for reaching conditions for the Lifshitz transition - a…
We develop a theory of finite-dimensional polyhedral subsets over the Wasserstein space and optimization of functionals over them via first-order methods. Our main application is to the problem of mean-field variational inference, which…
Formal similarity between k- area for the contribution from ZR-states and the remnant Fermi surface has been found. Presence of the contribution from 3B_{1g}- states at other k- area means the two-channel processes of scattering. As…
I present an exact and explicit solution to the scalar (Stokes flux intensity) radio interferometer imaging equation on a spherical surface which is valid also for non-coplanar interferometer configurations. This imaging equation is…
We introduce a practical and efficient approach for calculating the all-electron full potential bandstructure in real space, employing a finite element basis. As an alternative to the k-space method, the method involves the self-consistent…
Within Bogoliubov-de Gennes theory, a semiclassical approximation is used to study quantum oscillations and to determine the Fermi surface area associated with these oscillations in a model of a $\pi$-striped superconductor, where the…
Mean-field study of the stripe structures is conducted for a hole-doped Hubbard model. For bond-directed stripes, the Fermi surface consists of segments of an open surface and the boundaries of the hole pockets which appear in the diagonal…
The construction of exponentially localized Wannier functions for a set of bands requires a choice of Bloch-like functions that span the space of the bands in question, and are smooth and periodic functions of k in the entire Brillouin…
In this paper, we propose a new scheme for the integration of the periodic nonlinear Schr\"{o}dinger equation and rigorously prove convergence rates at low regularity. The new integrator has decisive advantages over standard schemes at low…
Ab initio determination of model Hamiltonian parameters for strongly correlated materials is a key issue in applying many-particle theoretical tools to real narrow-band materials. We propose a self-contained calculation scheme to construct,…
We re-examine the question of quantum oscillations from surface Fermi arcs and chiral modes in Weyl semimetals. By introducing two tools - semiclassical phase-space quantization and a numerical implementation of a layered construction of…
We present a first-principles calculation of the electronic properties of crystalline silicon and gallium arsenide in a uniform electric field. Polarized Wannier-like functions which are confined in a finite region are obtained by…
We uncover the low-energy spectrum of a t-J model for electrons on a square lattice of spin-1 iron atoms with 3dxz and 3dyz orbital character by applying Schwinger-boson-slave-fermion mean-field theory and by exact diagonalization of one…