Related papers: Efficient all-electron Bethe-Salpeter implementati…
We present a first-principles method for the calculation of optical excitations in nanosystems. The method is based on solving the Bethe-Salpeter equation (BSE) for neutral excitations. The electron self-energy is evaluated within the GW…
The self-consistent GW{\Gamma} method satisfies the Ward-Takahashi identity (i.e., the gauge invariance or the local charge continuity) for arbitrary energy ($\omega$) and momentum ($\bf q$) transfers. Its self-consistent first-principles…
Various many-body perturbation theory techniques for calculating electron behavior rely on {\it W}, the screened Coulomb interaction. Computing {\it W} requires complete knowledge of the dielectric response of the electronic system, and the…
We study the efficiency, precision and accuracy of all-electron variational and diffusion quantum Monte Carlo calculations using Slater basis sets. Starting from wave functions generated by Hartree-Fock and density functional theory, we…
We present an all-optical method for achieving molecular Bose-Einstein condensates of ${}^6\textrm{Li}$. We demonstrate this with mixtures in the lowest two (1-2), and second lowest two (2-3) hyperfine states. For the 1-2 mixture, we can…
The asymmetric simple exclusion process (ASEP) plays the role of a paradigm in non-equilibrium statistical mechanics. We review exact results for the ASEP obtained by Bethe ansatz and put emphasis on the algebraic properties of this model.…
The normalization of Bethe eigenstates for the totally asymmetric simple exclusion process on a ring of $L$ sites is studied, in the large $L$ limit with finite density of particles, for all the eigenstates responsible for the relaxation to…
All-digital basestation (BS) architectures enable superior spectral efficiency compared to hybrid solutions in massive multi-user MIMO systems. However, supporting large bandwidths with all-digital architectures at mmWave frequencies is…
We analyze deficiencies of commonly used Coulomb approximations in Generalized Born solvation energy calculation models and report a development of a new fast surface-based method (FSBE) for numerical calculations of the solvation energy of…
With the commissioning of the refurbished adaptive secondary mirror (ASM) for the 6.5-meter MMT Observatory under way, special consideration had to be made to properly calibrate the mirror response functions to generate an interaction…
We demonstrate a highly efficient GPU implementation of the Wannier interpolation of electron-phonon matrix elements in the EPW code. Building on a systematic analysis of the computational complexity of the algorithm for electron-phonon…
Three-centre nuclear attraction integrals, which arise in density functional and \textit{ab initio} calculations, are one of the most time-consuming computations involved in molecular electronic structure calculations. Even for relatively…
The $GW$ approach of many-body perturbation theory (MBPT) has become a common tool for calculating the electronic structure of materials. However, with increasing number of published results, discrepancies between the values obtained by…
The ultra-high efficiency and cost-effective photovoltaics based on halide preovskites have brought a revolution to ongoing photovoltaic research, surpassing the expectations of the scientific community. However, structural stability is a…
We suggest different simple schemes to efficiently load and evaporate a ''dimple'' crossed dipolar trap. The collisional processes between atoms which are trapped in a reservoir load in a non adiabatic way the dimple. The reservoir trap can…
Given the growing significance of 2D materials in various optoelectronic applications, it is imperative to have simulation tools that can accurately and efficiently describe electron correlation effects in these systems. Here, we show that…
An ab initio approach formulated under an entropy-inspired repartitioning of the electronic Hamiltonian is presented. This ansatz produces orbital eigenvalues each shifted by entropic contributions expressed as subsets of scaled pair…
Approximated numerical techniques, for the solution of the elastic wave scattering problem over semi-infinite domains are reviewed. The approximations involve the representation of the half-space by a boundary condition described in terms…
We introduce an active-space embedding framework for core-level spectroscopies that connects localized atomic multiplets to continuum resonances within a plane-wave DFT/PAW description. The approach is complementary to widely used…
In this paper, we explore the low-complexity optimal bilinear equalizer (OBE) combining scheme design for cell-free massive multiple-input multiple-output networks with spatially correlated Rician fading channels. We provide a spectral…