Related papers: Accurate projected augmented wave (PAW) datasets f…
The ground-state properties of Fe, Co, and Ni are studied with the linear-augmented-plane-wave (LAPW) method and norm-conserving pseudopotentials. The calculated lattice constant, bulk modulus, and magnetic moment with both the…
In order to increase the accuracy of the linearized augmented plane wave method (LAPW) we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different…
The projector augmented wave (PAW) method of Bl\"ochl makes smooth but non-orthogonal orbitals. Here we show how to make PAW orthogonal, using a cheap transformation of the wave-functions. We show that the resulting Orthogonal PAW (OPAW),…
Plate acoustic waves (PAW) propagating along X-axis in the Z-cut wafer of a single crystal of lithium niobate are considered theoretically and experimentally. For eight lowest PAW modes, the dispersion curves for wavenumber k(f) are…
The projector augmented wave (PAW) method of Bl\"ochl linearly maps smooth pseudo wavefunctions to the highly oscillatory all-electron DFT orbitals. Compared to norm-conserving pseudopotentials (NCPP), PAW has the advantage of lower kinetic…
We studied the electronic structure of rare-earth ditelluride (ReTe_2 : Re = La, Pr, Sm, and Gd) using photoemission spectroscopy. From the x-ray photoelectron spectroscopy (XPS) study of the 3d core levels of rare-earth elements, we found…
Retrieval-Augmented Generation (RAG) enhances recency and factuality in answers. However, existing evaluations rarely test how well these systems cope with real-world noise, conflicting between internal and external retrieved contexts, or…
Na$_{0.5}$(Bi$_3$/4RE$_{1/4}$)$_{0.5}$TiO$_3$ (RENBT, RE = Nd, Gd, Dy, and Ho) compounds were investigated in the framework of first-principles calculations using the full potential linearized augmented plane wave (FP-LAPW) method based on…
We performed resonant soft X-ray diffraction on known charge density wave (CDW) compounds, rare earth tri-tellurides. Near the $M_5$ (3d - 4f) absorption edge of rare earth ions, an intense diffraction peak is detected at a wavevector…
We have obtained a UVES spectrum of a slowly rotating strongly magnetic Ap star, HD 144897, that exhibits very large overabundances of rare-earth elements. Here we present a detailed spectral analysis of this object, also taking into…
Ultrarelativistic electron-positron plasmas can be produced in high-intensity laser fields and play a role in various astrophysical situations. Their properties can be calculated using QED at finite temperature. Here we will use…
We theoretically and numerically investigate metal enhanced fluorescence of plasmonic core-shell nanoparticles doped with rare earth (RE) ions. Particle shape and size are engineered to maximize the average enhancement factor (AEF) of the…
Band structures for solid rare gases (Ne, Ar) have been calculated using the GW approximation. All electron and pseudopotential ab initio calculations were performed using Gaussian orbital basis sets and the dependence of particle-hole gaps…
Ultrarelativistic electron-positron plasmas can be produced in high-intensity laser fields and play a role in various astrophysical situations. Their properties can be calculated using QED at finite temperature. Here we will use…
Dielectronic recombination resonance strengths, energy-differential cross sections, and recombination rate coefficients are calculated fully relativistically for Fe$^{2+}$ ions. The ground-state and resonance energies are determined using…
Existing low-Earth-orbit (LEO) communication link analyses face two main challenges: (1) limited accuracy of 3D atmospheric refractivity reconstructed from sparsely sampled radiosonde data, and (2) numerical instability in previous…
A novel deep neural network classifier, a ``Particle transformer'' (PaRT), is introduced for the identification of highly Lorentz-boosted resonances reconstructed as single, multipronged jets in measurements and searches performed by the…
A new method (NM) for filtering three-dimensional reconstructed densities is proposed. The algorithm is tested with simulated spectra and employed to study the electronic structure of the rare-earth compound LaB6. For this system, momentum…
Next-generation wireless systems such as 6G operate at higher frequency bands, making signal propagation highly sensitive to environmental factors such as buildings and vege- tation. Accurate Radio Environment Map (REM) estimation is…
In this work we examine critically the electronic structure of the rare-earth elements by use of the so-called Hubbard I approximation. From the theoretical side all measured features of both occupied and unoccupied states are reproduced,…