相关论文: Vacuum Wannier Functions for First-Principles Scat…
When a superconductor is placed in contact with a normal material, Cooper pairs penetrate the latter and induce superconductivity via the proximity effect. Despite its central role in quantum materials, superconducting devices and…
Tight-binding models for ultracold atoms in optical lattices can be properly defined by using the concept of maximally localized Wannier functions for composite bands. The basic principles of this approach are reviewed here, along with…
We present a first-principles scheme for incorporating many-body interactions into the unified description of the quadratic optical response to light of noncentrosymmetric crystals. The proposed method is based on time-dependent…
We investigate the electronic structure of over-coordinated defects in amorphous silicon via density-functional total-energy calculations, with the aim of understanding the relationship between topological and electronic properties on a…
We introduce a method for the selective preparation and detection of quasiparticle wave packets, based on creation operators that generate dressed, localized excitations on top of interacting vacua of (quasi-)one-dimensional quantum lattice…
A standard task in solid state physics and quantum chemistry is the computation of localized molecular orbitals known as Wannier functions. In this manuscript, we propose a new procedure for computing Wannier functions in one-dimensional…
We address the two-dimensional band-structure of graphene above the vacuum level in the context of discrete states immersed in the three-dimensional continuum. Scattering resonances are discovered that originate from the coupling of the…
High power short pulse lasers provide a promising route to study the strong field effects of the quantum vacuum, for example by direct photon-photon scattering in the all-optical regime. Theoretical predictions based on realistic laser…
We propose a numerical method using the discrete variable representation (DVR) for constructing real-valued Wannier functions localized in a unit cell for both symmetric and asymmetric periodic potentials. We apply these results to finding…
A procedure to construct symmetry-adapted Wannier functions in the framework of the maximally-localized Wannier function approach[Marzari and Vanderbilt, Phys. Rev. B \textbf{56}, 12847 (1997); Souza, Marzari, and Vanderbilt, \textit{ibid.}…
We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…
The concept of a plane scatterer that was developed earlier for scalar waves is generalized so that polarization of light is included. Starting from a Lippmann-Schwinger formalism for vector waves, we show that the Green function has to be…
We present a full vectorial first-order approach to the scattering by arbitrary photonic structures with a low refractive index contrast. Our approach uses the first-order Born approximation and keeps the simple geometrical representation…
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of…
Within a plane-wave approximation in scattering, an incoming wave packet's Wigner function stays everywhere positive, which obscures such purely quantum phenomena as non-locality and entanglement. With the advent of the electron microscopes…
The presence of negative values in the Wigner quasiprobability distribution is deemed one of the hallmarks of nonclassical phenomena in quantum systems. Here we demonstrate a classical model of squeezed light that, when combined with…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
We discuss the scattering of photons from a three-level emitter in a one-dimensional waveguide, where the transport is governed by the interference of spontaneously emitted and directly transmitted waves. The scattering problem is solved in…
The idealized theory of quantum vacuum energy density is a beautiful application of the spectral theory of differential operators with boundary conditions, but its conclusions are physically unacceptable. A more plausible model of a…
Wigner functions provide a way to do quantum physics using quasiprobabilities, that is, "probability" distributions that can go negative. Informationally complete POVMs, a much younger subject than phase space formulations of quantum…