Coulomb
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Related Articles from SNS
Quaternion Dirac--Coulomb--Breit Integral Transformation for Relativistic Four-Component Correlated Electronic Structure Theory
Announce Type: new Abstract: High-accuracy correlated four-component relativistic electronic structure methods are typically formulated in terms of integrals over molecular orbital (MO). Consequently, an efficient and scalable strategy is required to deal with the complexity of transforming relativistic two-electron integrals from the atomic orbital (AO) to the MO basis. The transformation bottleneck is particularly acute for approaches that include Breit interaction integrals, whose...
Correction of the basis set error due to the absence of the electron-electron cusp in the wave function by using an adiabatic correction
Announce Type: new Abstract: This article proposes an analytical method to address the slow convergence of electronic structure calculations caused by the inability of finite one-particle basis sets to describe the electron-electron cusp. An equivalence is made between a calculation using a finite basis set with the physical Coulomb interaction and a calculation using a complete basis set with a model interaction (specifically, the error-function screened Coulomb potential characterized by a...
Vibrational model of entropy in dense two-dimensional fluids
arXiv:2606.04533v1 Announce Type: cross Abstract: A vibrational paradigm of atomic dynamic in dense fluids is known to provide useful insight on the transport and thermodynamic properties of fluids in three dimensions. In this paper, a vibrational model is generalized to describe the excess entropy of two-dimensional (2D) fluids. A simple practical implementation of this model is demonstrated to deliver accurate results for various systems, such as one-component plasmas with Coulomb and...
Novel approaches for the reliable and efficient numerical evaluation of Landau-type operators
arXiv:2402.02247v3 Announce Type: replace Abstract: Numerical approximations of Landau-type operators represent fundamental components of time integration methods for demanding problems such as inhomogeneous Vlasov-Landau-type equations. Substantial computational issues arise from the treatment of the physically most relevant three-dimensional case with Coulomb-type interaction. This work is concerned with the introduction and numerical comparison of novel approaches for the reliable and...
Plasma Conductivity from Warm Dense Matter to the Spitzer Limit Using Mean-Force Kinetic Theory
arXiv:2606.02881v1 Announce Type: new Abstract: A theoretical model is developed to compute electronic transport coefficients extending from warm and dense to hot and dilute plasma conditions. This kinetic theory-based approach models strong Coulomb correlations by treating interactions using the potential of mean force, electron degeneracy using the Uehling-Uhlenbeck equation, and diffraction by computing cross sections quantum mechanically. The result provides a fast and accurate means to...
Full Characterization of a Mock Nuclear Waste Barrel with Muon Tomography using Micromegas Detectors
Announce Type: new Abstract: Muon tomography based on multiple Coulomb scattering provides a non-destructive method to image dense and shielded objects using naturally occurring cosmic-ray muons. In the context of nuclear waste characterization, we present the experimental imaging of a 205-L mock waste barrel using a dedicated 1m$^2$ muon scattering tomography test bench. The system employs multiplexed resistive Micromegas detectors, enabling stable and high-precision muon tracking.
Investigation of Thick-GEM detectors fabricated in India for muography application
Announce Type: new Abstract: Muography, commonly known as muon tomography, is a passive, non-destructive imaging technique that utilizes naturally occurring cosmic-ray muons to visualize the internal density structures of large, static, or inaccessible objects. In course of developing a small prototype muography system for material identification that relies upon the multiple Coulomb scattering of muons in matter, we explored the possible use of Thick-GEM detector as muon tracking device. It...
Novel approaches for the reliable and efficient numerical evaluation of Landau-type operators
Announce Type: replace Abstract: Numerical approximations of Landau-type operators represent fundamental components of time integration methods for demanding problems such as inhomogeneous Vlasov-Landau-type equations. Substantial computational issues arise from the treatment of the physically most relevant three-dimensional case with Coulomb-type interaction. This work is concerned with the introduction and numerical comparison of novel approaches for the reliable and efficient evaluation...
Asymptotic Recovery in Fourier Spectral Methods for the Schr\"odinger Equation with Point Singularities
arXiv:2606.01718v1 Announce Type: new Abstract: This paper studies the Fourier spectral method (FSM) for the Schr\"odinger equation with singular potentials $V \in H^{s}$, where $s > \max\{d/2-2,-1\}$ and $d$ denotes the spatial dimension. This setting includes a broad class of singular potentials, such as the 3D Coulomb potential and the 1D Dirac-delta potential.
All-electron Dynamical Bethe-Salpeter Equation for Extended Systems with Atom-centered Orbital Basis Set
arXiv:2606.08350v1 Announce Type: new Abstract: Solving Bethe-Salpeter equation (BSE) for the two-particle Green's function is the most widely used approach for taking into account the particle-hole (exciton) interaction in electronic excitation in the context of the many-body theory based on Green's function. In BSE calculations, the static approximation to the screened Coulomb interaction kernel is commonly employed. However, when the excitonic character is significant as typically...