相关论文: Vacuum Wannier Functions for First-Principles Scat…
Wigner function tomography is indispensable for characterizing quantum states, but its commonly used version, balanced homodyne detection, suffers from several weaknesses. First, it requires efficient detection, which is critical for…
We derive a minimal low-energy model for Bernal bilayer graphene and related rhombohedral graphene multilayers at low electronic densities by constructing Wannier orbitals defined in real-space supercells of the original primitive cell.…
We present a robust algorithm that computes (maximally localized) Wannier functions (WFs) without the need of providing an initial guess. Instead, a suitable starting point is constructed automatically from so-called local orbitals which…
We develop a dynamical formulation of one-dimensional scattering theory where the reflection and transmission amplitudes for a general, possibly complex and energy-dependent, scattering potential are given as solutions of a set of dynamical…
Applications of quantum science to computing, cryptography and imaging are on their way to becoming key next generation technologies. Owing to the high-speed transmission and exceptional noise properties of photons, quantum photonic…
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.…
One and two photon wave functions are derived by projecting the quantum state vector onto simultaneous eigenvectors of the number operator and a recently constructed photon position operator [Phys. Rev A 59, 954 (1999)] that couples spin…
A versatile method for combining density functional theory (DFT) in the local density approximation (LDA) with dynamical mean-field theory (DMFT) is presented. Starting from a general basis-independent formulation, we use Wannier functions…
Using the quadrature bases that incorporate the spatiotemporal degrees of freedom, we develop a Wigner functional theory for quantum optics, as an extension of the Moyal formalism. Since the spatiotemporal quadrature bases span the complete…
We show that any {\em quasi-particle} or GW approximation to the self-energy does not capture excitonic features in time-resolved (TR) photoemission spectroscopy. In this work we put forward a first-principles approach and propose a…
Generation of Wigner functions of Landau levels and determination of their symmetries and generic properties are achieved in the autonomous framework of deformation quantization. Transformation properties of diagonal Wigner functions under…
The discovery and design of functional materials for energy harvesting and electronic applications require accurate predictions of their optical and transport properties. While several existing databases contain the first-order optical…
We study finite-temperature $P$-form $\mathbb Z_N$ homological codes via an exact finite-Trotter quantum-to-classical map to a $(d+1)$-dimensional spacetime model with electric and magnetic topological background charges. The resulting…
We present a plane wave/pseudopotential implementation of the method to calculate electron transport properties of nanostructures. The conductance is calculated via the Landauer formula within formalism of Green's functions. Nonorthogonal…
We demonstrate the simultaneous quantum state reconstruction of the spectral modes of the light field emitted by a continuous wave degenerate optical parametric amplifier. The scheme is based on broadband measurement of the quantum…
We develop a scattering theory to investigate the multi-photon transmission in a one-dimensional waveguide in the presence of quantum emitters. It is based on a path integral formalism, uses displacement transformations, and does not…
Real-time, time-dependent density functional theory (RT-TDDFT) has gained popularity as a first-principles approach to study a variety of excited-state phenomena such as optical excitations and electronic stopping. Within RT-TDDFT…
We have developed a method to simulate multiple electron scattering in a vacuum barrier using real-space single-electron wavefunctions of the separate surfaces. The tunnelling current is calculated to first order in the Dyson series. In…
The existence and construction of exponentially localised Wannier functions for insulators is a well-studied problem. In comparison, the case of metallic systems has been much less explored, even though localised Wannier functions…
The scattering potential of the defects on Ge(001) surfaces is investigated by first-principles methods. The standing wave in the spatial map of the local density of states obtained by wave function matching is compared to the image of the…