Related papers: Computational Vibrational Spectroscopy
Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describing vibrational motions. We introduce a new method that…
Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…
The vibrational behavior of molecules serves as a crucial fingerprint of their structure, chemical state, and surrounding environment. Neutron vibrational spectroscopy provides comprehensive measurements of vibrational modes without…
The wavelength calibration of spectrographs is an essential but challenging task in many disciplines. Calibration is traditionally accomplished by imaging the spectrum of a light source containing features that are known to appear at…
This paper reports a method allowing for the determination of the shape of deformed fiber-like objects. Compared to existing methods, it provides analytical results including the local slope and curvature which are of first importance, for…
Precision spectroscopy of solid-state systems is challenging due to inhomogeneous broadening. We describe a technique -- coherent quantum beats -- that enables the measurement of small frequency shifts within an inhomogeneously broadened…
Optical analogues of coherent vibrational phenomena in molecules, such as light-induced molecular stabilization and wave packet dynamics at a potential crossing, are proposed for light beams in coupled slab waveguides.
We demonstrate a new spectroscopic method for studying electronic transitions in molecules with extremely broad range of angular momentum. We employ an optical centrifuge to create narrow rotational wave packets in the ground electronic…
We measure molecular vibrations with femtometer precision using time-resolved x-ray absorption spectroscopy. For a demonstration, a Raman process excites the A$_{1g}$ mode in gas-phase SF$_6$ molecules with an amplitude of $\approx50$ fm,…
We calculated the dynamics of nuclear wave packets in coupled electron-vibration systems and their nonlinear optical responses. We found that the quantized nature of the vibrational modes is observed in pump-probe spectra particularly in…
We introduce the Anharmonic Oscillator Symmetry Model to describe vibrational excitations in molecular systems exhibiting high degree of symmetry. A systematic procedure is proposed to establish the relation between the algebraic and…
Gravitational wave detector technology provides high-precision measurement apparatuses that, if combined with a modulated particle source, have the potential to measure and constrain particle interactions in a novel way, by measuring the…
The long-time behavior of many complex molecular systems is often governed by slow relaxation dynamics that can be described by a few reaction coordinates referred to as collective variables (CVs). However, identifying CVs hidden in a…
We present here the tool "Virtual Spectro", a post-processor for spectroscopics analysis of hydrodynamic codes. We describe purpose and method of this tool, and the first application to analysis of high energy laser driven radiative shocks.
The precise theoretical determination of the geometrical parameters of molecules at the minima of their potential energy surface and of the corresponding vibrational properties are of fundamental importance for the interpretation of…
Cross-spectral analysis is a mathematical tool for extracting the power spectral density of a correlated signal from two time series in the presence of uncorrelated interfering signals. We demonstrate and explain a set of conditions where…
Spectro-microscopy is an experimental technique which can be used to observe spatial variations in chemical state and changes in chemical state over time or under experimental conditions. As a result it has broad applications across areas…
We analyze a technique of obtaining turbulence power spectrum using spectral line data along the velocity coordinate, which we refer to as Velocity Coordinate Spectrum (VCS). We formalize geometrical aspects of observation through a single…
Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can…
Optical spectroscopy is an important and widely used technique, for instance, to characterize new materials and to identify unknown compounds. Spectra are typically reported as a function of the wavelength of light, yet the information…