Related papers: Simulating electron energy-loss spectroscopy and c…
Electronic circular dichroism (ECD) is a powerful spectroscopical method for investigating chiral properties at the molecular level. ECD calculations with the commonly used linear-response time-dependent density functional theory (LR-TDDFT)…
The proposed method exploits charged particles confined as a storage ring beam (proton, deuteron, possibly $^3$He) to search for an intrinsic electric dipole moment (EDM) aligned along the particle spin axis. Statistical sensitivities could…
The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the binding energy…
We present an embedding approach to treat local electron correlation effects in periodic environments. In a single, consistent framework, our plane-wave based scheme embeds a local high-level correlation calculation (here Coupled Cluster…
We calculate the electronic structure of several atoms and small molecules by direct minimization of the Self-Interaction Corrected Local Density Approximation (SIC-LDA) functional. To do this we first derive an expression for the gradient…
Quasi-phase matched direct laser acceleration (DLA) of electrons can be realized with guided, radially polarized laser pulses in density-modulated plasma waveguides. A 3-D particle-in-cell model has been developed to describe the…
Understanding, optimizing, and controlling the optical absorption process, exciton gemination, and electron-hole separation and conduction in low dimensional systems is a fundamental problem in materials science. However, robust and…
The electric double layer (EDL) formed around charged nanostructures at the liquid-solid interface determines their electrochemical activity and influences their electrical and optical polarizability. We experimentally demonstrate that…
Background: Octupole-deformed nuclei, such as that of $^{225}$Ra, are expected to amplify observable atomic electric dipole moments (EDMs) that arise from time-reversal and parity-violating interactions in the nuclear medium. In 2015, we…
Excitons -- quasiparticles formed by the binding of an electron and a hole through electrostatic attraction -- hold promise in the fields of quantum light confinement and optoelectronic sensing. Atomically thin transition metal…
We provide a self-consistent electromagnetic theory of the coupling between dipole emitters and dissipative nanoresonators. The theory that relies on the concept of quasi-normal modes with complex frequencies provides an accurate…
The local density approximation (LDA) constructed through quantum Monte Carlo calculations of the homogeneous electron gas (HEG) is the most common approximation to the exchange-correlation functional in density functional theory. We…
A crucial aspect in the simulation of electrochemical interfaces consists in treating the distribution of electronic charge of electrode materials that are put in contact with an electrolyte solution. Recently, it has been shown how a…
We propose in this article an unambiguous definition of the local density of electromagnetic states (LDOS) in a vacuum near an interface in an equilibrium situation at temperature $T$. We show that the LDOS depends only on the electric…
Motivated by a number of recent experimental studies we have revisited the problem of the microscopic calculation of the quasiparticle self-energy and many-body effective mass enhancement in a two-dimensional electron liquid. Our systematic…
We investigate the behavior of three-dimensional (3D) exchange-correlation energy functional approximations of density functional theory in anisotropic systems with two-dimensional (2D) character. Using two simple models, quasi-2D electron…
Relativistic electrons in a structured medium generate radiative losses such as Cherenkov and transition radiation that act as a virtual light source, coupling to the photonic densities of states. The effect is most pronounced when the…
This paper presents an attractive method towards sensing and quantifying the concentration of dielectric particles suspended in a highly conductive medium. Fast electrical impedance spectroscopy (EIS) measurements were performed, based on…
The electric dipole moment (EDM) of paramagnetic atoms is sensitive to the intrinsic EDM contribution from that of its constituent electrons and a scalar--pseudo-scalar (S-PS) electron-nucleus interactions. The electron EDM and the S-PS EDM…
Numerical simulations of atmospheric circulation models are limited by their finite spatial resolution, and so large eddy simulation (LES) is the preferred approach to study these models. In LES a low-pass filter is applied to the flow…