Related papers: The Overlapping Muffin-Tin Approximation
Quadratic-response theory is shown to provide a conceptually simple but accurate approximation for the self-consistent one-electron potential of semiconductor nanostructures. Numerical examples are presented for GaAs/AlAs and InGaAs/InP…
Acoustic wave propagation in a fluid with a random assortment of identical cylindrical scatterers is considered. While the leading order correction to the effective wavenumber of the coherent wave is well established at dilute areal density…
The LDA-1/2 method expands Slater's half occupation technique to infinite solid state materials by introducing a self-energy potential centered at the anions to cancel the energy associated with electron-hole self-interaction. To avoid an…
We derive a pseudopotential in two dimensions (2D) with the presence of a 2D Rashba spin-orbit-coupling (SOC), following the same spirit of frame transformation in {[}Phys. Rev. A 95, 020702(R) (2017){]}. The frame transformation correctly…
Recent investigations of the magnetic properties and the discovery of superconductivity in quasi-one-dimensional triangular lattice organic charge-transfer solids have indicated the severe limitations of the effective 1/2-filled band…
Scaling up superconducting quantum processors remains a central challenge for realizing fault-tolerant quantum computation. Although distributed architectures based on optical photons offer a promising route to scalability, they require an…
In this work we present a new basis set for electronic structures (Density Functional Theory (DFT)) calculations. This basis set extends Soler Williams Linearized Augmented Plane Wave (SLAPW) basis sets by allowing variable Muffin Tin (MT)…
Multi-wavefunction overlaps -- generalizations of the quantum mechanical inner product for more than two quantum many-body states -- are valuable tools for studying many-body physics. In this paper, we investigate the multi-wavefunction…
Rescattering electrons offer great potential as probes of molecular properties on ultrafast timescales. The most famous example is molecular tomography, in which high harmonic spectra of oriented molecules are mapped to ``tomographic…
This paper investigates the scattering of biharmonic waves by a one-dimensional periodic array of cavities embedded in an infinite elastic thin plate. The transparent boundary conditions are introduced to formulate the problem from an…
A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…
We present a new approach to real-space multiple-scattering theory for molecules and clusters, based on the two-potential (distorted-wave) Lippmann-Schwinger equation formalism. Our approach uses a recently developed form [D. L. Foulis,…
We describe the behavior of the Perdew-Zunger self-interaction-corrected local density approximation (SIC-LDA) functional when implemented in a plane-wave pseudopotential formalism with Wannier functions. Prototypical semiconductors and…
We develop a light-matter interface enabling strong and uniform coupling between a chain of cold atoms and photons of an optical cavity. This interface is a fiber Fabry-Perot cavity, doubly resonant for both the wavelength of the atomic…
We present exact solutions of two-body problem for spin-1/2 fermions with isotropic spin-orbit(SO) coupling and interacting with an arbitrary short-range potential. We find that in each partial-wave scattering channel, the parametrization…
Partial tomography, which focuses on reconstructing reduced density matrices (RDMs), has emerged as a promising approach for characterizing complex quantum systems, particularly when full state tomography is impractical. Recently,…
We propose a computational method that simplifies drastically the inclusion of spin-orbit interaction in density functional theory implemented on localised atomic orbital basis sets. Our method is based on a well-known procedure for…
Local density approximation (LDA) to the density functional theory (DFT) has continuous derivative of total energy as a number of electrons function and continuous exchange-correlation potential, while in exact DFT both should be…
The simulation of light scattering by particles on a substrate with the $T$-matrix method relies on the expansion of the scattered field in spherical waves, followed by a plane wave expansion to allow the evaluation of the reflection from…
This work studies the semiclassical methods in multi-dimensional quantum systems bounded by finite potentials. By replacing the Maslov index by the scattering phase, the modified transfer operator method gives rather accurate corrections to…