相关论文: Automated all-functionals infrared and Raman spect…
Raman spectroscopy is an important tool in the study of vibrational properties and composition of molecules, peptides and even proteins. Raman spectra can be simulated based on the change of the electronic polarizability with vibrations,…
We develop a method to obtain fermion spectral functions non-perturbatively in a non-Abelian gauge theory with high occupation numbers of gauge fields. After recovering the free field case, we extract the spectral function of fermions in a…
We solve for the electronic Raman scattering response functions on an infinite-dimensional hypercubic lattice employing dynamical mean field theory. This contribution extends previous work on the nonresonant response to include the mixed…
Inelastic light scattering from electrons is a symmetry-selective probe of the charge dynamics within correlated materials. Many measurements have been made on correlated insulators, and recent exact solutions in large dimensions explain a…
We investigate the performance of the range-separated hybrid (RSH) scheme, which combines long-range Hartree-Fock (HF) and a short-range density-functional approximation (DFA), for calculating photoexcitation/photoionization spectra of the…
Accurate band gap prediction in semiconductors is crucial for materials science and semiconductor technology advancements. This paper extends the Perdew-Burke-Ernzerhof (PBE) functional for a wide range of semiconductors, tackling the…
An optical absorption spectrum constitutes one of the most fundamental material characteristics, with relevant applications ranging from material identification to energy harvesting and optoelectronics. However, the database of both…
We introduce a scheme based on machine learning and deep neural networks to model the environmental dependence of the electronic polarizability in insulating materials. Application to liquid water shows that training the network with a…
Brillouin microscopy is an emerging optical technique for probing mechanical properties with submicron resolution, offering fully non-contact, label-free operation. Despite its unique capabilities, broader adoption has been limited by slow…
We present a new method to compute resonance Raman spectra based on ab initio level calculations using the frequency-dependent Placzek approximation. We illustrate the efficiency of our hybrid quantum-classical method by calculating the…
Training implicit neural representations (INRs) to capture fine-scale details typically relies on iterative backpropagation and is often hindered by spectral bias when the target exhibits highly non-uniform frequency content. We propose…
Raman spectroscopy's capability to provide meaningful composition predictions is heavily reliant on a pre-processing step to remove insignificant spectral variation. This is crucial in biofluid analysis. Widespread adoption of diagnostics…
An important topic of interest in imaging is the construction of protocols that are not diffraction limited. This can be achieved in a variety of ways, including classical superresolution techniques or quantum entanglement-based protocols.…
Illuminant estimation aims to infer scene illumination from image measurements despite intrinsic ambiguities between surface reflectance and lighting. Most existing methods operate on trichromatic RGB images and are therefore fundamentally…
The evolution of the scanning modules for scanning transmission electron microscopes (STEM) has realized the possibility to generate arbitrary scan pathways, an approach currently explored to improve acquisition speed and to reduce electron…
We present an experimental set-up developed to perform optical spectroscopy experiments (Raman scattering and photoluminescence measurements) with a micrometer spatial resolution, in an extreme environment of low temperature, high magnetic…
Estimation of response functions is an important task in dynamic medical imaging. This task arises for example in dynamic renal scintigraphy, where impulse response or retention functions are estimated, or in functional magnetic resonance…
Spectral imagers, the classic example being the color camera, are ubiquitous in everyday life. However, most such imagers rely on filter arrays that absorb light outside each spectral channel, yielding ~1/N efficiency for an N-channel…
We present a simple and efficient method for refining maps or correspondences by iterative upsampling in the spectral domain that can be implemented in a few lines of code. Our main observation is that high quality maps can be obtained even…
Raman scattering cross sections depend on photon polarization. In the cuprates nodal and antinodal directions are weighted more strongly in $B_{2g}$ and $B_{1g}$ symmetry, respectively. On the other hand in angle-resolved photoemission…