Related papers: Elimination of the linearization error in GW calcu…
The Ablowitz-Ladik (AL) equations are distinguished integrable discretizations of the focusing and defocusing nonlinear Schr\"odinger (NLS) equations. In a previous paper (arXiv:2305.04857) we have studied the effect of the modulation…
We propose the complex-plane generalization of a powerful algebraic sequence acceleration algorithm, the Method of Weighted Averages (MWA), to guarantee exponential-cum-algebraic convergence of Fourier and Fourier-Hankel (F-H) integral…
Momentum dependent local-ansatz wavefunction approach (MLA) to the correlated electron systems in solids has been further developed to solve best a self-consistent equation for variational parameters at non half-filling. With use of the…
Laguerre polynomials are orthogonal polynomials defined on positive half line with respect to weight $e^{-x}$. They have wide applications in scientific and engineering computations. However, the exponential growth of Laguerre polynomials…
Density functional theory offers accurate structure prediction at acceptable computational cost, but commonly used approximations suffer from delocalization error; this results in inaccurate predictions of quantities such as energy band…
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…
We study the effect of semicore states on the self-energy corrections and electronic energy gaps of silicon, germanium and GaAs. Self-energy effects are computed within the GW approach, and electronic states are expanded in a plane-wave…
We report the first quasiparticle calculations of the newly observed wurtzite polymorph of InAs and GaAs. The calculations are performed in the GW approximation using plane waves and pseudopotentials. For comparison we also report the study…
The results for one-loop correction to deep inelastic scattering of longitudinal polarized leptons on longitudinal polarized hadrons are obtained withing the framework of the standard theory of electroweak interactions and ordinary…
The calculation of self-energy corrections to the electron bands of a metal requires the evaluation of the intraband contribution to the polarizability in the small-q limit. When neglected, as in standard GW codes for semiconductors and…
We present a benchmark of the density functional linear response calculation of NMR shieldings within the Gauge-Including Projector-Augmented-Wave method against all-electron Augmented-Plane-Wave$+$local-orbital and uncontracted Gaussian…
Recently, the $GW$ approach has emerged as a valuable tool for computing deep core-level binding energies as measured in X-ray photoemission spectroscopy. However, $GW$ fails to accurately predict shake-up satellite features, which arise…
A new approach to finite basis sets for the Dirac equation is developed. It solves the problem of spurious states and, as a result, improves the convergence properties of basis set calculations. The efficiency of the method is demonstrated…
Our previously-developed calculational method (the partial wave cutoff method) is employed to evaluate explicitly scalar one-loop effective actions in a class of radially symmetric background gauge fields. Our method proves to be…
I consider a specially designed simple mechanical problem where "particle acceleration" due to an external force creates sound waves. Theoretical description of this phenomenon should provide the total energy conservation. To introduce…
Systematic errors are inevitable in most measurements performed in real life because of imperfect measurement devices. Reducing systematic errors is crucial to ensuring the accuracy and reliability of measurement results. To this end,…
Many inverse problems involve two or more sets of variables that represent different physical quantities but are tightly coupled with each other. For example, image super-resolution requires joint estimation of the image and motion…
In radio astronomy, the correlator measures intensity in visibility space. In addition, the EoR power spectrum measured by an experiment such as the MWA is constructed in visibility space. Thus, correcting for the ionosphere in the uv-plane…
We consider W-boson scattering at high-energy e+ e- colliders and study one-loop logarithmic electroweak corrections within the Standard Model assuming a light Higgs boson. We present explicit analytical results for W+ W- -> W+ W-. Using…
In this work, we present a computationally efficient methodology that utilizes a local real-space formulation of the projector augmented wave (PAW) method discretized with a finite-element (FE) basis to enable accurate and large-scale…