Related papers: Frequency-dependent ab initio Resonance Raman Spec…
Raman spectra obtained by the inelastic scattering of light by crystalline solids contain contributions from first-order vibrational processes (e.g. the emission or absorption of one phonon, a quantum of vibration) as well as higher-order…
In crystalline nanoparticles the Raman peak is downshifted with respect to the bulk material and has asymmetric broadening. These effects are straightly related to the finite size of nanoparticles, giving the perspective to use the Raman…
We present an open-source program QERaman that computes first-order resonance Raman spectroscopy of materials using the output data from Quantum ESPRESSO. Complex values of Raman tensors are calculated based on the quantum description of…
We propose a method for increasing the Raman scattering from an ensemble of molecules by up to four orders of magnitude. Our method requires an additional coherent source of IR radiation with the half-frequency of the Stokes shift. This…
We consider the calculation of the band structure of frequency dependent photonic crystals. The associated eigenvalue problem is nonlinear and it is challenging to develop effective convergent numerical methods. In this paper, the band…
We present it ab-initio calculations of the non-resonant Raman spectra of zigzag and armchair BN nanotubes. In comparison, we implement a generalized bond-polarizability model where the parameters are extracted from first-principles…
We develop a generic theory for the resonant inelastic light (Raman) scattering by a conduction band quantum plasma taking into account the presence of the filled valence band in doped semiconductor nanostructures within a generalized…
The estimation of the frequencies of multiple superimposed exponentials in noise is an important research problem due to its various applications from engineering to chemistry. In this paper, we propose an efficient and accurate algorithm…
High-precision optical frequency measurement is indispensable to modern science and technology, yet conventional spectroscopic techniques struggle to resolve sub-linewidth spectral features. We introduce a unique platform for…
Narrow optical resonances of atoms or molecules have immense significance in various precision measurements, such as testing fundamental physics and the generation of primary frequency standards. In these studies, accurate transition…
In this paper, we develop a general method to estimate the instantaneous frequencies of the modes making up a multicomponent signal when the former exhibit interference in the time-frequency plane. In particular, studying the representation…
Undoubtedly, Raman spectroscopy is one of the most elaborated spectroscopy tools in materials science, chemistry, medicine and optics. However, when it comes to the analysis of nanostructured specimens, accessing the Raman spectra resulting…
We propose a new method to compute band structures of dispersive photonic crystals. It can treat arbitrarily frequency-dependent, lossy or lossless materials. The band structure problem is first formulated as the eigenvalue problem of an…
We develop the resonant mode coupling approximation to calculate the optical spectra of a stack of two photonic crystal slabs. The method is based on a derivation of the input and output resonant vectors in each slab in terms of the Fourier…
We focus on an alignment-free method to estimate the underlying signal from a large number of noisy randomly shifted observations. Specifically, we estimate the mean, power spectrum, and bispectrum of the signal from the observations. Since…
Self-consistent relativistic random-phase approximation (RPA) in the radial coordinate representation is established by using the finite amplitude method (FAM). Taking the isoscalar giant monopole resonance in spherical nuclei as example,…
We present a combined experimental and theoretical study of resonant Raman spectroscopy in single- and triple-layer MoTe$_2$. Raman intensities are computed entirely from first principles by calculating finite differences of the dielectric…
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…
Spectroscopy is the most important method for probing the structure of molecules. However, predicting molecular spectra on classical computers is computationally expensive, with the most accurate methods having a cost that grows…
There is widespread interest in estimating the fluorescence properties of natural materials in an image. However, the separation between reflected and fluoresced components is difficult, because it is impossible to distinguish reflected and…