Related papers: Projector augmented-wave method: an analysis in a …
In this paper, we propose a spectral framework that embeds 1D and 2D quasiperiodic Helmholtz eigenvalue problems into higher-dimensional (2D and 4D) periodic spaces via the projection method \cite{jiang2014numerical, jiang2024numerical}. To…
We provide accurate projected augmented wave (PAW) datasets for rare-earth (RE) elements with some suggested Hubbard U values allowing efficient plane-wave calculations. Solid state tests of generated datasets were performed on rare-earth…
Motivated by the recently proposed parallel orbital-updating approach in real space method, we propose a parallel orbital-updating based plane-wave basis method for electronic structure calculations, for solving the corresponding eigenvalue…
A novel method based on pulse area analysis(PAA) was presented for acquisition nuclear spectrum by the digitizer. PAA method can be used as a substitute for the traditional method of pulse height analysis (PHA). In the PAA method a…
Within the framework of the full potential projector-augmented wave methodology, we present a promising low-scaling $GW$ implementation. It allows for quasiparticle calculations with a scaling that is cubic in the system size and linear in…
This paper investigates the influence of the basis set on the GW self-energy correction in the full-potential linearized augmented-plane-wave (LAPW) approach and similar linearized all-electron methods. A systematic improvement is achieved…
Partial-wave analyses (PWA) are an essential tool for studying resonance structures in decays with hadronic multi-body final states. For several years, more model-independent approaches to such analyses have been used for various decay…
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…
Existing approaches to image reconstruction in photoacoustic computed tomography (PACT) with acoustically heterogeneous media are limited to weakly varying media, are computationally burdensome, and/or cannot effectively mitigate the…
We propose a wave operator method to calculate eigenvalues and eigenvectors of large parameter-dependent matrices, using an adaptative active subspace. We consider a hamiltonian which depends on external adjustable or adiabatic parameters,…
The Lewis and Riesenfeld method has been investigated, by Ramos et al in Ref.[1], for quantum systems governed by time-dependent PT symmetric Hamiltonians and particularly where the quantum system is a particle submitted to action of a…
Non-linear dimensionality reduction techniques such as manifold learning algorithms have become a common way for processing and analyzing high-dimensional patterns that often have attached a target that corresponds to the value of an…
We consider the 2+1 and 3+1 scalar wave equations reduced via a helical Killing field, respectively referred to as the 2-dimensional and 3-dimensional helically reduced wave equation (HRWE). The HRWE serves as the fundamental model for the…
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…
It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without…
Strongly correlated materials are a natural target for fault-tolerant quantum computers, but they require tools beyond those developed for molecules. Electronic wavefunctions vary rapidly near nuclei yet remain delocalized across many unit…
The new single-channel, single-energy partial wave analysis method based on a simultaneous use of amplitude and partial wave analysis called AA/PWA, developed and tested on $\eta$ photoproduction in ref. Svarc et al, PRC 102, 064609 (2020),…
Electric field gradients and chemical shielding tensors of the stable monoclinic crystal phase of ethanol are computed. The projector-augmented wave (PAW) and gauge-including projector-augmented wave (GIPAW) models in the periodic…
We study three practical implementations of the Overlap-Dirac operator $D_o= (1/2) [1 + \gamma_5\epsilon(H_w)]$ in four dimensions. Two implementations are based on different representations of $\epsilon(H_w)$ as a sum over poles. One of…
The Complex Absorbing Potential (CAP) method is widely used to compute resonances in Quantum Chemistry, both for nonrelativistic and relativistic Hamiltonians. In the semiclassical limit $\hbar \to 0$ we consider resonances near the real…