Related papers: Simulating Molecular Single Vibronic Level Fluores…
Rotation-vibration energy levels are determined for the electronic ground state of the acetylene molecule, $^{12}$C$_2$H$_2$, using the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. 37,813 measured transitions…
We derive approximate equations of motion for excited state dynamics of a multilevel open quantum system weakly interacting with light to describe fluorescence detected single molecule spectra. Based on the Frenkel exciton theory, we…
We discuss the conceptual design of a spatially-resolved spectroscopy system of Thomson scattering with high wavelength resolution capable of measuring the shape of electron velocity distribution functions in magnetically confined plasmas.…
We have combined ab initio quantum chemistry calculations with a rate-equation formalism to analyze electroluminescence spectra in single-molecule junctions, measured recently by several groups in Scanning Tunneling Microscope setups. In…
We propose a novel approach to calculate dynamical processes at ultrafast time scale in molecules in which vibrational and electronic motions are strongly mixed. The relevant electronic orbitals and their interactions are described by a…
Accurate experimental values for the vibrational ground tone or fundamental vibrational energy splitting of H$_2$, HD, and D$_2$ are presented. Absolute accuracies of $2\times10^{-4}$ cm$^{-1}$ are obtained from Doppler-free laser…
Electrochemical techniques conventionally lack spatial resolution and average local information over an entire electrode. While advancements in spatial resolution have been made through scanning probe methods, monitoring dynamics over large…
The technique of High Spectral Resolution Lidar (HSRL) for atmospheric monitoring allows the determination of the aerosol to molecular ratio and can be used in UHECR Observatories using air fluorescence telescopes. By this technique a more…
Graphene-based nanostructured systems and van-der-Waals heterostructures comprise a material class of growing technological and scientific importance. Joining materials with vastly different properties, polymer-graphene heterosystems…
Measuring inelastic rates with partial wave resolution requires temperatures close to a Kelvin or below, even for the lightest molecule. In a recent experiment Perreault et al. [1] studied collisional relaxation of excited HD molecules in…
Atomic vibrations control all thermally activated processes in materials including diffusion, heat transport, phase transformations, and surface chemistry. Recent developments in monochromated, aberration-corrected scanning transmission…
We demonstrate a simple method to improve the Lewenstein model for the description of high-order harmonic generation (HHG). It is shown that HHG spectra can be expressed as the product of a returning electron wave packet and the…
We present a numerical method for studying the normal modes of accretion flows around black holes. In this first paper, we focus on two-dimensional, viscous, hydrodynamic disks, for which the linear modes have been calculated analytically…
This paper establishes a theory of nonlinear spectral decompositions by considering the eigenvalue problem related to an absolutely one-homogeneous functional in an infinite-dimensional Hilbert space. This approach is both motivated by…
Wavefront sensing is a widely-used non-interferometric, single-shot, and quantitative technique providing the spatial-phase of a beam. The phase is obtained by integrating the measured wavefront gradient. Complex and random wavefields…
The structural and electronic properties of a single pentacene molecule and a pentacene molecular crystal, an organic semiconductor, are examined by a first-principles method based on the generalized gradient approximation of density…
In this paper we study the excitation spectrum of single- and multi-layer graphene beyond the Dirac cone approximation. The dynamical polarizability of graphene is computed using a full $\pi$-band tight-binding model, considering the…
In this work we used Particle-In-Cell simulations to study the interaction of circularly polarised Alfv\'en waves with one dimensional plasma density inhomogeneities transverse to the uniform magnetic field (phase mixing) in collisionless…
We make numerical comparison of spectra from angular-momentum projection on Hartree-Fock states with spectra from configuration-interaction nuclear shell-model calculations, all carried out in the same model spaces (in this case the sd,…
We show that the highly excited rovibrational spectra of a diatomic molecule and the closely related slow atomic collision processes contain more systematics and require less parameters to characterize than the Rydberg spectrum of an atom.…