Related papers: Accurate projected augmented wave (PAW) datasets f…
We investigate the accuracy of rigorous coupled wave analysis (RCWA) for near-field computations within cylindrical GaAs nanowire solar cells and discover excellent accuracy with low computational cost at long incident wavelengths, but poor…
The main goal of electronic structure methods is to solve the Schroedinger equation for the electrons in a molecule or solid, to evaluate the resulting total energies, forces, response functions and other quantities of interest. In this…
Retrieval-Augmented Generation (RAG) enhances language models by combining retrieval with generation. However, its current workflow remains largely text-centric, limiting its applicability in geoscience. Many geoscientific tasks are…
The COMPASS experiment at CERN has collected a large data sample of 50 million diffractively produced $\pi^-\pi^+\pi^-$ events using a $190\,$GeV$/c$ negatively charged hadron beam. The partial-wave analysis (PWA) of these high-precision…
Relativistic dipolar to hexadecapolar polarizabilities of the ground state and some excited states of hydrogenic atoms are calculated by using numerically exact energies and wave functions obtained from the Dirac equation with the…
The design of spin-orbit torque properties in two-dimensional (2D) materials presents one of the challenges of modern spintronics. In this context, 2D layers involving rare-earth ions $-$ which give rise to robust magnetism, exhibit…
We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction W we tested three different plasmon-pole dielectric…
The characterization of nearby rocky exoplanets will become feasible with the next generation of telescopes, such as the Extremely Large Telescope (ELT) and the mission concept Habitable Worlds Observatory (HWO). Using an improved model…
Using an extended set of equations of state and a multiple-group multiple-code collaborative effort to generate waveforms, we improve numerical-relativity-based data-analysis estimates of the measurability of matter effects in neutron-star…
ANN model is used to estimate the multiplicity per rapidity for charged pions and kaons observed in various high-energy experiments from central Au+Au collisions with energies ranging from 2-200 GeV, and then compared to available…
Surface alloying is a straightforward route to control and modify the structure and electronic properties of surfaces. Here, We present a systematical study on the structural and electronic properties of three novel rare earth-based…
We analyze in detail the error that arises from the linearization in linearized augmented-plane-wave (LAPW) basis functions around predetermined energies $E_l$ and show that it can lead to undesirable dependences of the calculated results…
High spectral resolution spectroscopy has proved to be very useful for the advancement of chemical abundances studies in photoionized nebulae, such as H II regions and planetary nebulae (PNe). Classical analyses make use of the intensity of…
A brief introduction to the projector augmented wave method is given and recent developments are reviewed. The projector augmented wave method is an all-electron method for efficient ab-initio molecular dynamics simulations with the full…
The possibility of using mixed crystals highly doped with rare earth ions (REIs) as physical systems for creating fast quantum computers with a sampling time of nanoseconds is discussed. The electronic 4f states of rare earth ions with…
We present MUSE deep integral-field unit spectroscopy of three planetary nebulae(PNe) with high abundance discrepancy factors (ADF > 20): NGC 6778, M 1-42 and Hf 2-2. We have constructed flux maps for more than 40 emission lines, and use…
A novel self-consistent implementation of Hedin's GW perturbation theory is introduced. This finite-temperature method uses Hartree-Fock wave functions to represent Green's function. GW equations are solved with full potential linear…
We report a first-principles projector augmented wave (PAW) study on Na$_{0.5}$CoO$_2$. With the sodium ion ordered insulating phase being identified in experiments, pure density functional calculations fail to predict an insulating ground…
Recent experimental results from the Trident laser confirm the importance of kinetic effects in determining laser reflectivities at high intensities. Examples observed include scattering from low frequency electron acoustic waves (EAWs),…
Climate decision making is constrained by the complexity and inaccessibility of key information within lengthy, technical, and multi-lingual documents. Generative AI technologies offer a promising route for improving the accessibility of…