相关论文: Precision Franck-Condon spectroscopy from highly-e…
Vibronic spectra of molecules are typically described within the Franck-Condon model. Here, we show that highly resolved vibronic spectra of large organic molecules on a single layer of MoS$_{2}$ on Au(111) show spatial variations in their…
Interaction of molecules with light may lead to electronic transitions and simultaneous vibrational excitations. Franck-Condon factors (FCFs) play an important role in quantifying the intensities of such vibronic transitions occurring…
Molecular electronic spectra can be represented in the time domain as auto-correlation functions of the initial vibrational wavepacket. We present a derivation of the harmonic vibrational auto-correlation function that is valid for both…
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…
The optical absorption of the Fr\"{o}hlich polaron model is obtained by an approximation-free Diagrammatic Monte Carlo method and compared with two new approximate approaches that treat lattice relaxation effects in different ways. We show…
Excited-state relaxations in molecules are responsible for a red shift of the absorption peak with respect to the emission peak (Franck-Condon shift). The magnitude of this shift in semiconductor quantum dots is still unknown. Here we…
In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single…
Using the method of quantum-defect theory, we calculate the ultralong-range molecular vibrational states near the dissociation threshold of a diatomic molecular potential which asymptotically varies as $-1/R^3$. The properties of these…
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,…
Probing optical excitations with nanometer resolution is important for understanding their dynamics and interactions down to the atomic scale. Electron microscopes currently offer the unparalleled ability of rendering spatially-resolved…
As pioneering experiments have shown, strong vibrational coupling between molecular vibrations and light modes in an optical cavity can significantly alter molecular properties and even affect chemical reactivity. However, the current…
Recent results of meson photo-production at the existing electron machines with polarized real photon beams and the measurement of polarization observables of the final state baryons have provided high precision data that led to the…
The correct treatment of vibronic effects is vital for the modeling of absorption spectra of solvated dyes, as many prominent spectral features can often be ascribed to vibronic transitions. Vibronic spectra can be computed within the…
A theoretical model of the influence of detection bandwidth properties on observed line shapes in laser absorption spectroscopy is described. The model predicts artificial frequency shifts, extra broadenings and line asymmetries which must…
Under the Franck-Condon approximation, we systematically validated the performance of density functional theory (DFT) and the effects of anharmonicity in simulating C/N/O K-edge vibrationally-resolved X-ray spectra of common diatomic…
We show how vibronic spectra in molecular systems can be simulated in an efficient and accurate way using first principles approaches without relying on the explicit use of multiple Born-Oppenheimer potential energy surfaces. We demonstrate…
Excitation energy transfer is crucially involved in a variety of systems. During the process, the non-Condon vibronic coupling and the surrounding solvent interaction may synergetically play important roles. In this work, we study the…
Photodetection converts optical quantum states into measurement events, but the usual electric-field response model becomes restrictive when the detector response is shaped by cavity, superconducting, or metamaterial engineering. We develop…
We study theoretically a fundamental issue in solids: the evolution of the optical spectra of polaron as the electron-phonon coupling increases. By comparing the exact results obtained by diagrammatic Monte Carlo method and the data got…
The long spin coherence times in ambient conditions of color centers in solids, such as nitrogen-vacancy (NV$^{-}$) centers in diamond, make these systems attractive candidates for quantum sensing. Quantum sensing provides remarkable…