Related papers: Accurate projected augmented wave (PAW) datasets f…
We present results of an ab-initio study of the electronic structure of 140 rare earth compounds. Specifically we predict an electronic phase diagram of the entire range of rare earth monopnictides and monochalcogenides, composed of…
The emission of pions produced within a dense, strongly-interacting system of matter in the presence of strong radial flow and absorption is described using a relativistic optical model formalism, replacing the attenuated or unattenuated…
CP-PAW is a combined electronic structure and ab-initio molecular dynamics code to perform mixed quantum and classical simulations of atomistic condensed phase systems, such as solids, liquids, and molecular systems. As the name suggests,…
A pair-density-wave (PDW) is a novel superconducting state with an oscillating order parameter. A microscopic mechanism that can give rise to it has been long sought but has not yet been established by any controlled calculation. Here we…
The occurrence of extreme (rogue) waves in the ocean is for the most part still shrouded in mystery, as the rare nature of these events makes them difficult to analyze with traditional methods. Modern data mining and machine learning…
We consider sampling from a Gibbs distribution by evolving a finite number of particles using a particular score estimator rather than Brownian motion. To accelerate the particles, we consider a second-order score-based ODE, similar to…
The spin-resolved electronic energy band spectra, as well as partial and total density of electronic states of the crystal AlN, doped with Cr, Mn and Fe, have been evaluated within the projector augmented waves (PAW) approach by means of…
One of the fundamental objectives of experiments with ultrarelativistic heavy ions is to explore strongly interacting matter at high density and high temperature. In this investigation we study in particular the information which can be…
Transition intensities for small molecules such as water and CO$_2$ can now be computed with such high accuracy that they are being used to systematically replace measurements in standard databases. These calculations use high accuracy ab…
We present an application of a high-throughput search of new rare-earth free permanent magnets focusing on 3d-5d transition metal compounds. The search involved a part of the ICSD database (international crystallographic structural…
This Review consolidates publicly available aerial wireless measurement datasets collected using AERPAW. We organize signal-level, power-level, and KPI-level datasets under a unified taxonomy, harmonize metadata, and provide verified access…
Weak Gaussian perturbations on a plane wave background could trigger lots of rogue waves, due to modulational instability. Numerical simulations showed that these rogue waves seemed to have similar unit structure. However, to the best of…
We propose accurate computable error bounds for quantities of interest in plane-wave electronic structure calculations, in particular ground-state density matrices and energies, and interatomic forces. These bounds are based on an…
The direct random-phase approximation (dRPA) is used to calculate and compare atomization energies for the HEAT set and 10 selected molecules of the G2-1 set using both plane waves and Gaussian-type orbitals. We describe detailed procedures…
We propose to use ultra-high intensity laser pulses with wavefront rotation (WFR) to produce short, ultra-intense surface plasma waves (SPW) on grating targets for electron acceleration. Combining a smart grating design with optimal WFR…
Both the basic electronic structure of tetraborides, and the changes across the lanthanide series in $R$B$_4$ ($R$ = rare earth) compounds, are studied using the correlated band theory LDA+U method in the all-electron Full Potential Local…
We evaluate the zero-point renormalization (ZPR) due to electron-phonon interactions of 28 solids using the projector-augmented-wave (PAW) method. The calculations cover diamond, many zincblende semiconductors, rock-salt and wurtzite…
We introduce a mixed density fitting scheme that uses both a Gaussian and a plane-wave fitting basis to accurately evaluate electron repulsion integrals in crystalline systems. We use this scheme to enable efficient all-electron Gaussian…
The quality of the invariant mass reconstruction of the di-{\tau} system is crucial for searches and analyses of di-{\tau} resonances. Due to the presence of neutrinos in the final state, the {\tau} {\tau} invariant mass cannot be…
A rigorous theoretical investigation is made to study the characteristics of dust-acoustic (DA) waves (DAWs) in an electron depleted unmagnetized opposite polarity dusty plasma system that contains super-thermal ($\kappa$-distributed) ions,…