相关论文: Simulating X-ray absorption spectra with linear-re…
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…
Density functional theory with plane-wave basis sets is widely employed in computational materials science, including applications to isolated molecular systems. However, the inadequate description of electron correlation remains a…
Absorption of light is directly associated with dissipative processes in a material. In suitably tailored resonators, a specific level of dissipation can support coherent perfect absorption, the time-reversed analogue of lasing, which…
We investigate the use of orbital-optimized references in conjunction with single-reference coupled-cluster theory with single and double substitutions (CCSD) for the study of core excitations and ionizations of 18 small organic molecules,…
While simulation tools for visible light communication (VLC) with photo detectors (PDs) have been widely investigated, similar tools for optical camera communication (OCC) with complementary metal oxide semiconductor (CMOS) sensors are…
Recent disagreement between state-of-the-art quantum chemical methods, coupled cluster with single, double and perturbative triples excitations and fixed-node diffusion Monte Carlo, calls for systematic examination of possible sources of…
Spectrum resources are facing huge demands and cognitive radio (CR) can improve the spectrum utilization. Recently, power spectral density (PSD) map is defined to enable the CR to reuse the frequency resources regarding to the area. For…
In this paper, we report large-scale configuration interaction (CI) calculations of linear optical absorption spectra of various isomers of magnesium clusters Mg$_{n}$ (n=2--5), corresponding to valence transitions. Geometry optimization of…
Methods that combine collective variable (CV) based enhanced sampling and global tempering approaches are used in speeding-up the conformational sampling and free energy calculation of large and soft systems with a plethora of energy…
We present a new technique using a frequency comb laser and optical cavities for performing ultrafast transient absorption spectroscopy with improved sensitivity. Resonantly enhancing the probe pulses, we demonstrate a sensitivity of…
Compressive sensing is a signal acquisition framework based on the revelation that a small collection of linear projections of a sparse signal contains enough information for stable recovery. In this paper we introduce a new theory for…
We propose a novel clustering approach for point-cloud segmentation based on supervised contrastive metric learning (CML). Rather than predicting cluster assignments or object-centric variables, the method learns a latent representation in…
Vibrationally resolved near-edge x-ray absorption spectra at the K-edge for a number of small molecules have been computed from anharmonic vibrational configuration interaction calculations of the Franck-Condon factors. The potential energy…
A new formulation of lateral imaging process of point-scanning optical coherence tomography (OCT) and a new differential contrast method designed by using this formulation are presented. The formulation is based on a mathematical sample…
Exchange-correlation potentials vxc and energy densities exc are derived for integer and fractional electron counts using an orbital-averaged Kohn-Sham inversion procedure. The reference densities for inversion come from full configuration…
The Caldeira-Leggett model provides a compact characterization of a thermal environment in terms of a spectral density function. This simplicity has led to a variety of numerically exact quantum methods for reduced density matrix…
A new state specific correlation correction to configuration interaction singles (CIS) excitation energies is preseted using coupled cluster perturbation theory (CCPT). General expressions for CIS-CCPT are derived and expanded explicitly to…
The problem of orbital relaxation in computational core-hole spectroscopies, including x-ray absorption and x-ray photoionization, has long plagued linear response approaches, including equation-of-motion coupled cluster with singles and…
Compressive Sensing (CS) theory shows that a signal can be decoded from many fewer measurements than suggested by the Nyquist sampling theory, when the signal is sparse in some domain. Most of conventional CS recovery approaches, however,…
Computational corrections of defocus and aberrations in optical coherence tomography (OCT) offers a promising approach to realize high-resolution imaging with deep imaging depth, but without additional high hardware costs. However, these…