Related papers: A method for accurate electron-atom resonances: Th…
To enhance the positioning and tracking performance of dynamic user equipment (UE) in wideband millimeter-wave (mmWave) systems, we propose a novel positioning error lower bound (PELB)-driven ping-pong positioning framework, where the base…
Two methods the complex energy shell model (CXSM) and the complex scaling (CS) approach were used for calculating isobaric analog resonances (IAR) in the Lane model. The IAR parameters calculated by the CXSM and the CS methods were checked…
The coupling of an electron monochromator (EM) to a mass spectrometer (MS) has created a new analytical technique, EM-MS, for the investigation of electrophilic compounds. This method provides a powerful tool for molecular identification of…
The Complex Scaling Method (CSM) provides scattering wave functions which regularize resonances and suggest a resolution of the identity in terms of such resonances, completed by the bound states and a smoothed continuum. But, in the case…
We study several aspects of the recently introduced fixed-phase spin-orbit diffusion Monte Carlo (FPSODMC) method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure…
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling can accurately predict materials properties but, in order to…
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given…
The multipole-expansion (MPE) model is an implicit solvation model used to efficiently incorporate solvent effects in quantum chemistry. Even within the recent direct approach, the multipole basis used in MPE to express the dielectric…
The Penning-trap electronic-detection technique that offers the precision and sensitivity requested in mass spectrometry for fundamental studies in nuclear and particle physics has not been proven yet to be universal. This has motivated the…
Individual electron spins have been observed using magnetic resonance in combination with a number of distinct detection approaches. The coordinates of an individual electron spin can then in principle be determined by introducing a 10 to…
We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)$_{\overline{\text{F12}}}$) for high-spin states of open-shell species. The approach is…
The chemical master equation (CME) is frequently used in systems biology to quantify the effects of stochastic fluctuations that arise due to biomolecular species with low copy numbers. The CME is a system of ordinary differential equations…
Modern wireless communication systems operating at high carrier frequencies are characterized by a high dimensionality of the underlying parameter space (including channel gains, angles, delays, and possibly Doppler shifts). Estimating…
Understanding and simulating the thermodynamic and dynamical properties of materials affected by strong ionic anharmonicity is a central challenge in material science. Much interest is in material displaying critical displacive behaviour,…
Effective stochastic resonance (SR) is numerically and analytically studied using a model with coupled two particles exposed to heterogeneous, i.e., particles dependent, amplitude of noise. Compared to previous SR models of single particle…
The task of radio map estimation aims to generate a dense representation of electromagnetic spectrum quantities, such as the received signal strength at each grid point within a geographic region, based on measurements from a subset of…
The ongoing miniaturization in nanoscience and -technology challenges the sensitivity and selectivity of experimental analysis methods to the ultimate level of single atoms and molecules. A promising new approach, addressed here, focuses on…
We study the electronic states of giant single-shell and the recently discovered nested multi-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on…
The electronic, optical, and magnetic properties of quantum solids are determined by their low-energy (< 100 meV) many-body excitations. Dynamical characterization and manipulation of such excitations relies on tools that combine…
Particle-mesh methods, such as the particle-in-cell (PIC) method, cannot retain exact pairwise interaction at sub-cell scales. For dense nonneutral relativistic electron bunches, this makes it difficult to accurately capture the…