Related papers: How well do one-electron self-interaction-correcti…
We present the results of a realistic global fit of the Lagrangian parameters of the Minimal Supersymmetric Standard Model assuming universality for the first and second generation and real parameters. No assumptions on the SUSY breaking…
For one-dimensional systems with delta-contact interactions, the convergence of the exact-diagonalization method is tested with a basis of harmonic oscillator eigenfunctions with frequency $\Omega$ optimized through the minimization of the…
We develop a second order correction to commonly used density functional approximations (DFA) to eliminate the systematic delocalization error. The method, based on the previously developed global scaling correction (GSC), is an exact…
Si/SiGe heterostructures are of high interest for high mobility transistor and qubit applications, specifically for operations below 4.2 K. In order to optimize parameters such as charge mobility, built-in strain, electrostatic disorder,…
Plasticity in body-centred cubic (BCC) metals, including dislocation interactions at grain boundaries, is much less understood than in face-centred cubic (FCC) metals. At low temperatures additional resistance to dislocation motion due to…
With the emergence of integrated sensing, communication, and computation (ISCC) in the upcoming 6G era, federated learning with ISCC (FL-ISCC), integrating sample collection, local training, and parameter exchange and aggregation, has…
Recently, we have demonstrated (Jin et al. 2020, J. Phys. B: At. Mol. Opt. Phys. 53, 075201) that a hybrid subconfiguration-average and level-to-level distorted wave treatment of electron-impact single ionisation (EISI) of W$^{14+}$ ions…
We present an extension of the quasiparticle self-consistent $GW$ approximation (QS$GW$) [Phys. Rev. B, 76 165106 (2007)] to include vertex corrections in the screened Coulomb interaction $W$. This is achieved by solving the Bethe-Salpeter…
The weak localization correction and the mesoscopic fluctuations of the polarizability and the capacitance of a small disordered sample are studied systematically in 2D and 3D geometries. While the grand canonical ensemble calculation gives…
Consider an integrated sensing and communication (ISAC) system where a base station (BS) employs a full-duplex radio to simultaneously serve multiple users and detect a target. The detection performance of the BS may be compromised by…
To accurately describe the energetics of transition metal systems, density functional approximations (DFAs) must provide a balanced description of s- and d- electrons. One measure of this is the sd transfer error, which has previously been…
The total energies of twenty eight bound S-, P-, D-, F-, G-, H-, and I-states in the three-electron systems Li atom and Be+ ion, respectively, are determined with the use of the Configuration Interaction (CI) with Slater orbitals and L-S…
The self-screening error in electronic structure theory is the part of the self-interaction error that would remain within the $GW$ approximation if the exact dynamically screened Coulomb interaction, $W$, were used, causing each electron…
High-density LED arrays enable high-speed transmission in image-sensor-based visible-light communication (VLC) systems. However, when optical spots become blurred and spatially overlapped due to focal shift, resolution limitations, or…
The single sideband (SSB) framework of analytical electron ptychography can account for the presence of residual geometrical aberrations induced by the probe-forming lens. However, the accuracy of this aberration correction method is highly…
We present the WCCR10 data set of ten ligand dissociation energies of large cationic transition metal complexes for the assessment of approximate exchange--correlation functionals. We analyze nine popular functionals, namely BP86, BP86-D3,…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
Complete dissociation dynamics of low-energy electron attachment to carbon disulfide have been studied using the velocity slice imaging (VSI) technique. The ion yields of S- and CS- fragment ions as the function of incident electron energy…
The quantum-selected configuration interaction (QSCI) method is a promising approach for large-scale quantum chemical calculations on currently available quantum hardware. However, its naive implementation lacks size consistency, which is…
We present a systematic study that clarifies validity and limitation of current hybrid functionals in density functional theory for structural and electronic properties of various semiconductors and insulators. The three hybrid functionals,…