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The theoretical prediction of the rates of nonradiative processes in molecules is fundamental to assess their emissive properties. In this context, global harmonic models have been widely used to simulate vibronic spectra as well as…
The frozen Gaussian approximation (FGA) is an effective tool for modeling high frequency wave propagation. In previous works, the convergence of the FGA has established for strict hyperbolic systems. In this work, we derive the frozen…
The development of new fluorescent molecules and dyes requires precise determination of their emission efficiency, which ultimately defines the potential of the developed materials. For this, the photoluminescence quantum yield (QY) is…
The importance of considering near-field effects on photon recycling and spontaneous emission in a thermophotovoltaic device is investigated. Fluctuational electrodynamics is used to calculate external luminescence from a photovoltaic cell…
We study a near-field thermophotonic (NF-TPX) refrigerating device, consisting of a lightemitting diode and a photovoltaic cell in close proximity. Calculations are performed in the frame of the detailed-balance approach. We study how…
The conditions behind the sudden approximation are critically examined. The fuzzy band expression is derived in detail from first principles. We go beyond the sudden approximation to account for both extrinsic losses and interference…
Simulating vibrationally resolved electronic spectra of anharmonic systems, especially those involving double-well potential energy surfaces, often requires expensive quantum dynamics methods. Here, we explore the applicability and…
For the development and optimization of novel light emitting materials, such as fluorescent proteins, dyes and semiconductor quantum dots (QDs), a reliable and robust analysis of the emission efficiency is crucial. The emission efficiency…
We combine a high-resolution hydro-simulation of the LambdaCDM cosmology with two radiative transfer schemes (for continuum and line radiation) to predict the properties, spectra and spatial distribution of fluorescent Ly-alpha emission at…
Strong-field QED (SFQED) probability rates in the locally monochromatic approximation (LMA) have become an indispensable tool for simulations of processes like gamma-ray emission or electron-positron pair production in laser-particle…
Advantage is taken of a complete and precise experimental study of the luminescent properties of yttrium aluminium garnet doped with Ce, previously accomplished by other authors, to confirm the accuracy of the invoked theoretical methods…
A method for performing variable-width (thawed) Gaussian wavepacket (GWP) variational dynamics on machine-learned potentials is presented. Instead of fitting the potential energy surface (PES), the anharmonic correction to the global…
The purpose of this work is to generalize the frozen Gaussian approximation (FGA) theory to solve the 3-D elastic wave equation and use it as the forward modeling tool for seismic tomography with high-frequency data. FGA has been previously…
Fluorescence recovery after photobleaching (FRAP) measurements offer an important tool for analyzing diffusion and binding processes. Confocal scanning laser microscopes that are used in FRAP experiments bleach regions with a radially…
We present a computationally efficient framework for predicting the excited-state properties of thermally activated delayed fluorescence (TADF) emitters, integrating extended tight-binding (\xtb), simplified Tamm-Dancoff approximation…
Computing accurate estimates of the Fourier transform of analog signals from discrete data points is important in many fields of science and engineering. The conventional approach of performing the discrete Fourier transform of the data…
We report high-pressure photoluminescence, Raman scattering, and x-ray diffraction measurements on a lead-free halide perovskite $Cs_3Sb_2Br_9$. At about 3 GPa, an electronic transition manifests itself through a broad minimum in linewidth,…
In this study, the theoretical maximum efficiency $\eta_{max}$ and the Boltzmann-type factor giving the concentration ratio of excited-to-ground state pigment-molecules for photosynthetic systems under irradiation with arbitrary photon flux…
The discrete Fourier transform is approximated by summing over part of the terms with corresponding weights. The approximation reduces significantly the requirement for computer memory storage and enhances the numerical computation…
We present a publicly-available code to generate sets of mock Lyman-$\alpha$ (\lya) forest data that have realistic large-scale correlations including those due to the Baryonic Acoustic Oscillations (BAO). The primary purpose of these mocks…