Related papers: Efficient and accurate description of adsorption i…
Accurate estimation of single-phase permeability (k) has broad application in numerous areas, particularly modeling flow and transport in porous materials. Various techniques have been proposed in the literature to estimate k from other…
Coherent perfect absorber (CPA) was proposed as the time-reversed counterpart to laser: a resonator containing lossy medium instead of gain medium can absorb the coherent optical fields completely. Here, we exploit a monolayer graphene to…
The random phase approximation (RPA) to the correlation energy is extended to fractional occupations and its performance examined for exact conditions on fractional charges and fractional spins. RPA satisfies the constancy condition for…
The many-body expansion (MBE) of energies of molecular clusters or solids offers a way to detect and analyze errors of theoretical methods that could go unnoticed if only the total energy of the system was considered. In this regard, the…
In general, one often encounters the systems that have sparse impulse response, with time varying system sparsity. Conventional adaptive filters which perform well for identification of non-sparse systems fail to exploit the system sparsity…
In the present article, we introduce the relativistic Cholesky-decomposed density (CDD) matrix second-order M{\o}ller-Plesset perturbation theory (MP2) energies. The working equations are formulated in terms of the usual intermediates of…
Range-separated methods combining a short-range density functional with long-range random phase approximations RPAs with or without exchange response kernel are tested on rare-gas dimers and the S22 benchmark set of weakly interacting…
Doping of a two-dimensional (2D) material by impurity atoms occurs \textit{via} two distinct mechanisms: absorption of the dopants by the 2D crystal or adsorption on its surface. To distinguish the relevant mechanism, we systematically dope…
In recent works, it has been shown rather generally that the time-reversed process of lasing at threshold realizes a coherent perfect absorber (CPA). In a CPA, a lossy medium in an optical cavity with a specific degree of dissipation, equal…
The rigorous coupled-wave approach (RCWA) and the differential evolution algorithm (DEA) were coupled in a practicable approach to maximize absorption in optical structures with three-dimensional morphology. As a model problem, optimal…
This paper investigates the estimation of different parameters, e.g., propagation distance and flow velocity, by utilizing two fully-absorbing receivers (RXs) in a one-dimensional (1D) environment. The time-varying number of absorbed…
We make use of a subtraction procedure, introduced to overcome double--counting problems in beyond--mean--field theories, in the second random--phase--approximation (SRPA) for the first time. This procedure guarantees the stability of SRPA…
We develop SOS-RILT-MP2, an efficient Gaussian-based periodic scaled opposite-spin second-order M{\o}ller-Plesset perturbation theory (SOS-MP2) algorithm that utilizes the resolution-of-the-identity approximation (RI) combined with the…
In this work, we present a variant of the multilayer random sequential adsorption (RSA) process that is inspired by orthogonal resource sharing in wireless communication networks. In the one-dimensional (1D) version of this variant, the…
In this study, we propose a fast implementation of a Maximum Likelihood Positioning (MLP) algorithm to estimate the energy and identify the active scintillator pixel in staggered layer scintillation detectors for PET. The staggered layer…
The plasma dispersion function $Z(s)$ is a fundamental complex special integral function widely used in the field of plasma physics. The simplest and most rapid, yet accurate, approach to calculating it is through rational or equivalent…
Atmospheric moist available potential energy (MAPE) has been traditionally defined as the potential energy of a moist atmosphere relative to that of the adiabatically sorted reference state defining a global potential energy minimum.…
A novel radiation pressure acceleration (RPA) regime of heavy ion beams from laser-irradiated ultrathin foils is proposed by self-consistently taking into account the ionization dynamics. In this regime, the laser intensity is required to…
Ab initio self-consistent total energy calculations using second order Moller-Plesset perturbation theory and Hay-Wadt effective core potentials for gallium and arsenic have been used to investigate the chemisorption of atomic oxygen on the…
The current practice of angular (Lorentz, Polarization and absorption (LPA)) corrections in bulk materials for higher angle broad peaks, due to the K{\alpha} doublet, are based on the results of Pike (Acta Cryst., 12 (1959) 87-92) and…