Related papers: Self-interaction correction in multiple scattering…
Radiative corrections to neutrino deep inelastic scattering are revisited. One-loop electroweak corrections are re-calculated within the automatic SANC system. Terms with mass singularities are treated including higher order leading…
The multiple scattering theory (MST) is a Green's function method that has been widely used in electronic structure calculations for crystalline disordered systems. The key property of the MST method is the scattering path matrix (SPM) that…
The semi-inclusive deep inelastic scattering (SIDIS) process is considered. A theoretical procedure is proposed allowing the direct extraction from the SIDIS data of the first moments of the polarized valence distributions and of the first…
(Semi)-local density functional approximations (DFAs) suffer from self-interaction error (SIE). When the first ionization energy (IE) is computed as the negative of the highest-occupied orbital (HO) eigenvalue, DFAs notoriously…
Physical observables, such as the scattering phase shifts and the binding energies, calculated from the non-local HAL QCD potential do not depend on the sink operators used to define the potential. This is called the scheme independence of…
In this paper we study convergence estimates for a multigrid algorithm with smoothers of successive subspace correction (SSC) type, applied to symmetric elliptic PDEs. First, we revisit a general convergence analysis on a class of multigrid…
Self-interacting dark matter (SIDM) is an alternative to the standard collisionless cold dark matter model (CDM), allowing for interactions between the dark matter particles through the introduction of a self-scattering cross-section.…
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…
Numerous numerical studies have shown that geminal-based methods are a promising direction to model strongly correlated systems with low computational costs. Several strategies have been introduced to capture the missing dynamical…
An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing…
We present bound state masses of the self-conjugate and non-self-conjugate mesons in the context of the Schr\"{o}dinger equation taking into account the relativistic kinematics and the quark spins. We apply the usual interaction by adding…
Relativistic impulse approximation (RIA) has been widely used in atomic, condensed matter, nuclear, and elementary particle physics. In former treatments of RIA formulation, differential cross sections for Compton scattering processes were…
The correction of the self-interaction error (SIE) that is inherent to all standard density functional theory (DFT) calculations is an object of increasing interest. In this article we apply the very recently developed Fermi-orbital based…
It is shown that a relativistic multiple scattering theory for hadron-nucleus scattering can be consistently formulated in four-dimensions in the context of meson exchange. We give a multiple scattering series for the optical potential and…
We report developments of the kinetic Monte Carlo (KMC) method with improved accuracy and increased versatility for the description of atomic diffusivity on metal surfaces. The on-lattice constraint built into our recently proposed…
We perform an analytical investigation in the framework of generalized $K$ matrix theory of the scattering problem in tight isotropic and harmonic waveguides allowing for several open scattering channels. The scattering behavior is explored…
By viewing current in the detecting lead of a spintronic device as being an ensemble of flowing spins corresponding to a mixed quantum state, where each spin itself is generally described by an improper mixture generated during the…
In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as occurs, for example, in bond-breaking processes. Such…
We investigate the on-shell approximation in the context of s-wave scattering for ultracold two-body collisions. Our analysis systematically covers spatial dimensions D=1,2,3 , with the aim of identifying the regimes in which the…
Asymptotics-based configuration-interaction (CI) methods [G. Friesecke and B. D. Goddard, Multiscale Model. Simul. 7, 1876 (2009)] are a class of CI methods for atoms which reproduce, at fixed finite subspace dimension, the exact…