相关论文: Linear optical properties of solids within the ful…

Linearized augmented planewaves combined with local-orbitals (LAPW+lo) are arguably the most precise basis set to represent Kohn-Sham states. When employed within real-time time-dependent density functional theory (RT-TDDFT), they promise…

In the Projector Augmented Wave (PAW) method, a local potential, basis functions, and projector functions form an All-Electron (AE) basis for valence wave functions in the application of Density Functional Theory (DFT). The construction of…

The purpose of this text is to give a self-contained description of the basic theory of the projector augmented-wave (PAW) method, as well as most of the details required to make the method work in practice. These two topics are covered in…

A wide range of numerical and semi-analytical approaches has been developed for optical modeling of photonic-crystal surface-emitting lasers (PCSELs). However, a systematic framework for comparing their predictive capabilities and…

For opto-electronic and photo-voltaic applications of perovskites, it is essential to know the optical properties and intrinsic losses of the used materials. A systematic microscopic analysis is presented for the example of methylammonium…

We model optomechanical systems as linear optical amplifiers. This provides a unified treatment of diverse optomechanical phenomena. We emphasize, in particular, the relationship between ponderomotive squeezing and optomechanically induced…

Charged particle optics, the description of particle trajectories in the vicinity of some optical axis, describe the imaging properties of particle optics devices. Here, we present a complete and compact description of charged particle…

Specific features of nonlinear interference processes at quantum transitions in near- and fully-resonant optically-dense Doppler-broadened medium are studied. The feasibility of overcoming of the fundamental limitation on a…

All-optical amplification of the light pulse in a weakly coupled two nonlinear photonic crystal waveguides (PCWs) is proposed. We consider pillar-type PCWs, which consist of the periodically distributed circular rods made from a Kerr-type…

{We report on an intensity-only and deep-learning based method for laser beam characterization that allows to predict the underlying optical field within milliseconds. A simple near-field / far-field camera setup enables online control of…

We provide accurate projected augmented wave (PAW) datasets for rare-earth (RE) elements with some suggested Hubbard U values allowing efficient plane-wave calculations. Solid state tests of generated datasets were performed on rare-earth…

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)…

We present an ab-initio density-functional-theory approach for calculating electron-phonon interactions within the projector augmented-wave method. The required electron-phonon matrix elements are defined as the second derivative of the…

Free-space coupling to strongly subwavelength individual optical elements is a central theme in quantum optics, as it allows to control and manipulate the properties of quantum systems. In this work, we show that by combining an asymmetric…

This paper addresses recent experimental findings about luminescence of a gold tip in near-field interaction with a gold surface. Our electrochemically etched gold tips show a typical, intrinsic luminescence that we exploit to track the…

Relativistic dipolar to hexadecapolar polarizabilities of the ground state and some excited states of hydrogenic atoms are calculated by using numerically exact energies and wave functions obtained from the Dirac equation with the…

Within the framework of independent particle approximation, the optical activity tensor of solids is formulated as from different contributions: the magnetic dipole, electric quadrupole, and band dispersion terms. The first two terms have…

We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For…

We present valence electron Compton profiles calculated within the density-functional theory using the all-electron full-potential projector augmented-wave method (PAW). Our results for covalent (Si), metallic (Li, Al) and hydrogen-bonded…

Electromagnetic waves propagating in a layered superconductor with arbitrary momentum with respect to the main crystallographic directions display an unavoidable mixing between longitudinal and transverse degrees of freedom. Here we show…