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We present an experimental approach to detect the saturated absorption spectroscopy different from conventional scheme. Using this approach, crossovers are removed to avoid their overlap with other peaks in the spectrum and sensitivity of…

A study of the adsorption of CO on late 4d and $5d$ transition metal (111) surfaces (Ru, Rh, Pd, Ag, Os, Ir, and Pt) considering atop and hollow site adsorption is presented. The applied functionals include the gradient corrected PBE and…

We present a basis set correction scheme for the coupled-cluster singles and doubles (CCSD) method. The scheme is based on employing frozen natural orbitals (FNOs) and diagrammatically decomposed contributions to the electronic correlation…

This work provides a self-consistent extension of the recently proposed density-based basis-set correction method for wave-function electronic-structure calculations [J. Chem. Phys. 149, 194301 (2018)]. In contrast to the previously used…

From many fewer acquired measurements than suggested by the Nyquist sampling theory, compressive sensing (CS) theory demonstrates that, a signal can be reconstructed with high probability when it exhibits sparsity in some domain. Most of…

Remote sensing change detection (RSCD) is a complex task, where changes often appear at different scales and orientations. Convolutional neural networks (CNNs) are good at capturing local spatial patterns but cannot model global semantics…

The application of compressive sensing (CS) to structural health monitoring is an emerging research topic. The basic idea in CS is to use a specially-designed wireless sensor to sample signals that are sparse in some basis (e.g. wavelet…

For a gas-solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynamics and surface coverage dynamics by coupling the Langmuir…

Nowadays, electrochemical reduction of CO$_2$ has been considered as an effective method to solve the problem of global warming. The primary challenge in studying the mechanism is to determine the adsorption states of CO$_2$, since…

Accurate theoretical methods are needed to correctly describe adsorption on solid surfaces or in porous materials. The random phase approximation with singles corrections scheme (RPA) and the second order M{\o}ller-Plesset perturbation…

In this paper, we present a theoretical simulation of 87Rb absorption spectrum in a thermal cm-cell which is adaptive to the experimental observation. In experiment, the coupling and probe beams are configured to copropagate but…

A mathematical model of the process of carbon capture in a packed column by adsorption is developed and analysed. First a detailed study is made of the governing equations. Due to the complexity of the internal geometry it is standard…

The error floor of LDPC is revisited as an effect of dynamic message behavior in the so-called absorption sets of the code. It is shown that if the signal growth in the absorption sets is properly balanced by the growth of set-external…

Compressive sensing (CS) is a new methodology to capture signals at lower rate than the Nyquist sampling rate when the signals are sparse or sparse in some domain. The performance of CS estimators is analyzed in this paper using tools from…

The adsorption of CO molecules at the Ca3Ru2O7(001) surface was studied using low-temperature scanning tunneling microscopy (STM) and density functional theory (DFT). Ca3Ru2O7 can be easily cleaved along the (001) plane, yielding a smooth,…

We investigate a modified version of the $AB$ random sequential adsorption model. Specifically, this model involves the deposition of two distinct types of particles onto a lattice, with the constraint that different types cannot occupy…

Using a lattice-gas model with pairwise interactions, we study the ordered structures, coverage dependence of the heat of adsorption, and other experimentally observable behavior of adsorbed CO overlayers on Pd(100) single crystal surfaces.…

Compressed Sensing (CS) is suitable for remote acquisition of hyperspectral images for earth observation, since it could exploit the strong spatial and spectral correlations, llowing to simplify the architecture of the onboard sensors.…

Most methods for estimating configurational entropy from molecular simulation data yield upper limits except for harmonic systems where they are exact. Problems arise at diffusive systems and the presence of conformational transitions.…

Using density functional theory, we investigate the possible adsorption sites of CO molecules on the recently discovered Pt induced Ge nanowires on Ge(001). Calculated STM images are compared to experimental STM images to identify the…