Related papers: Accurate projected augmented wave (PAW) datasets f…
The electronic structure and properties of PuO$_{2}$ and Pu$_{2}$O$_{3}$ have been studied from first principles by the all-electron projector-augmented-wave (PAW) method. The local density approximation (LDA)+$U$ and the generalized…
The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crystals and surfaces. The implementation of atomic forces has…
Bulk Acoustic Wave (BAW) filters find applications in radio frequency (RF) communication systems for Wi-Fi, 3G, 4G, and 5G networks. In the beyond-5G (potential 6G) era, high frequency bands (>8 GHz) are expected to require resonators with…
Rapid access to accurate equation-of-state (EOS) data is crucial in the warm-dense matter regime, as it is employed in various applications, such as providing input for hydrodynamic codes to model inertial confinement fusion processes. In…
Tau-REx (Tau Retrieval of Exoplanets) is a novel, fully Bayesian atmospheric retrieval code custom built for extrasolar atmospheres. In Waldmann et al. (2015) the transmission spectroscopic case was introduced, here we present the emission…
We examine the influence of the relativistic effects within the linear augmented plane wave method (LAPW) for solids and propose a few alternative ways to accurately take them into account: (1) we introduce new radial dependencies for LAPW…
Experimental efforts to measure neutrinos by radio-frequency (RF) signals resulting from neutrino interactions in-ice have intensified over the last decade. Recent calculations indicate that one may dramatically improve the sensitivity of…
In the extreme high intensity regime of electromagnetic (EM) waves in plasma, the acceleration process is found to be dominated by the ponderomotive acceleration (PA). While the wakefields driven by the ponderomotive force of the…
In this work, the controversy between the interpretations of recent measurements on dense aluminum plasma created with Linac coherent light sources (LCLS) X-ray free electron laser (FEL) and Orion laser has been addressed. In both kind of…
We present an implementation of the GW approximation for the electronic self-energy within the full-potential linearized augmented-plane-wave (FLAPW) method. The algorithm uses an all-electron mixed product basis for the representation of…
The COMPASS experiment at CERN has collected a large dataset of $50$ million $\pi^-\pi^+\pi^-$ events produced diffractively from a proton target using a $190\,\mathrm{GeV}/c$ pion beam. The partial-wave analysis (PWA) of these…
Ab initio electronic structure calculations of two-dimensional layered structures are typically performed using codes that were developed for three-dimensional structures, which are periodic in all three directions. The introduction of a…
We provide a straightforward and efficient procedure to combine LDA+U total energy functional with the full potential linearized augmented plane wave method. A detailed derivation of the LDA+U Kohn-Sham type equations is presented for the…
Accurately mapping the radio environment (e.g., identifying wireless signal strength at specific frequency bands and geographic locations) is crucial for efficient spectrum sharing, enabling secondary users (SUs) to access underutilized…
Recently a breakthrough has been achieved in laser-spectroscopic studies of short-lived radioactive compounds with the first measurements of the radium monofluoride molecule (RaF) UV/vis spectra. We report results from high accuracy…
Tight-binding models provide a conceptually transparent and computationally efficient method to represent the electronic properties of materials. With AFLOW$\pi$ we introduce a framework for high-throughput first principles calculations…
We present an implementation of the linear density response function within the projector-augmented wave (PAW) method with applications to the linear optical and dielectric properties of both solids, surfaces, and interfaces. The response…
Quasi-monoenergetic GeV-scale protons are predicted to efficiently generate via radiation pressure acceleration (RPA) when the foil thickness is matched with the laser intensity, e.g., $L_{mat}$ at several nm to 100 nm with $10^{19}-10^{22}…
(Abridged) The abundance discrepancy problem in planetary nebulae (PNe) has long puzzled astronomers. NGC6153, with its high Abundance Discrepancy Factor (ADF~10), provides an opportunity to understand the chemical structure and ionisation…
We report on the first optical measurements of the rare-earth tri-telluride charge-density-wave systems. Our data, collected over an extremely broad spectral range, allow us to observe both the Drude component and the single-particle peak,…