Related papers: Simulating electron energy-loss spectroscopy and c…
The dipole approximation is employed to describe interactions between atoms and radiation. It essentially consists of neglecting the spatial variation of the external field over the atom. Heuristically, this is justified by arguing that the…
A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced…
The exchange and correlation $E_{xc}$ of strongly correlated electrons in 2D layers of finite width are studied as a function of the density parameter $r_s$, spin-polarization $\zeta$ and the temperature $T$. We explicitly treat…
Motivated by the discrete dipole approximation (DDA) for the scattering of electromagnetic waves by a dielectric obstacle that can be considered as a simple discretization of a Lippmann-Schwinger style volume integral equation for…
The effect of the dielectric permittivity of the electrolytic medium in the Electrical Double Layer (EDL) in Nanochannel is an important factor that requires a correction, before the application of the model in various chemical and…
We derive a set of optical Bloch equations (OBEs) directly from the minimal-coupling Hamiltonian density of the bound-state quantum electrodynamics (bound-state QED). Such optical Bloch equations are beyond the former widely-used ones due…
The development of advanced electrochemical devices for energy conversion and storage requires fine tuning of electrode reactions, which can be accomplished by altering the electrode/solution interface structure. Particularly, in case of an…
CELES is a freely available MATLAB toolbox to simulate light scattering by many spherical particles. Aiming at high computational performance, CELES leverages block-diagonal preconditioning, a lookup-table approach to evaluate costly…
We perform model-independent analyses extracting limits for the electric dipole moment of the electron and the P,T-odd scalar-pseudoscalar (S-PS) nucleon-electron coupling from the most recent measurements with atoms and molecules. The…
Scanning near-field optical imaging (SNOM) using local active probes provides in general images of the electric part of the photonic local density of states. However, certain atomic clusters can supply more information by simultaneously…
Thick, Charge Coupled Devices (CCDs) have recently been explored for applied physics, such as nuclear explosion monitoring, and dark matter detection purposes. When run in fully-depleted mode, these devices are sensitive detectors for…
In this article we develop an algorithm for the efficient simulation of electrolytes in the presence of physical boundaries. In previous work the Discrete Ion Stochastic Continuum Overdamped Solvent (DISCOS) algorithm was derived for triply…
Low-loss electron energy loss spectroscopy (EELS) in the scanning transmission electron microscope (STEM) probes the valence electron density and relevant optoelectronic properties such as band gap energies and other band structure…
Spectroscopic mapping by scanning transmission electron microscopy coupled with electron energy loss spectroscopy (STEM-EELS) is a powerful technique for determining the structure and chemistry of a wide range of materials and interfaces.…
A quasi-relativistic two-component approach for an efficient calculation of $\mathcal{P,T}$-odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex…
This review discusses how low-energy, valence excitations created by swift electrons can render information on the optical response of structured materials with unmatched spatial resolution. Electron microscopes are capable of focusing…
For atoms embedded in dense plasma, the plasma screening effects will greatly alter their structure and dynamics, and then determine the radiation transport properties of the plasma. In the present work, a new statistical model is proposed…
High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described theoretically, real-world experimental effects are…
Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metallization and dissociation dynamics. To understand and model…
The adiabatic approximation has formed the basis for much of our understandings of the interaction of light and electrons. The classical non-recoil approximation or quantum mechanical Wolkow states of free electron waves have been routinely…