Related papers: Capturing anharmonic effects in single vibronic le…
We present a novel approach for solving the shallow water equations using a discontinuous Galerkin spectral element method. The method we propose has three main features. First, it enjoys a discrete well-balanced property, in a spirit…
We present an ab initio approach for the calculation of phonon self-energies and their fluctuation diagnostics, which allows us to identify the electronic processes behind phonon anomalies. Application to the transition-metal-dichalcogenide…
The anharmonic phenomena in Zirconium Hydrides and Deuterides, including {\epsilon}-ZrH2, {\gamma}-ZrH, and {\gamma}-ZrD, have been investigated from aspects of inelastic neutron scattering (INS) and lattice dynamics calculations within the…
Raman spectroscopy plays a key role in studies of graphene and related carbon systems. Graphene is perhaps the most promising material of recent times for many novel applications, including electronics. In this paper, the traditional and…
The proposed method introduces a parameter determination approach based on the minimum Fractal box dimension (FBD) of Variational Mode Decomposition (VMD) components, aiming to address the issue of manual determination of VMD decomposition…
We study the observable properties of compressible MHD turbulence covering different turbulence regimes, based on synthetic synchrotron observations arising from 3D MHD numerical simulations. Using the synchrotron emissivity and intensity,…
High harmonic generation (HHG) in solids has emerged as a powerful spectroscopic method for resolving ultrafast electron dynamics and band structure properties across a wide range of materials. However, quantitative HHG studies require…
Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…
The signal resulting from magnetic resonance spectroscopy is occupied by noises and irregularities so in the further analysis preprocessing techniques have to be introduced. The main idea of the paper is to develop a model of a signal as a…
Transition metal dichalcogenides (TMDs) attract significant attention as potential building blocks in next-generation electronic devices. On the other hand, a comprehensive understanding of how various defects affect local electronic…
We study the effect of electron-vibron interactions on the inelastic transport properties of single-molecule nanojunctions. We use the non-equilibrium Green's functions technique and a model Hamiltonian to calculate the effects of…
We study the direct and inverse spectral problems for semiclassical operators of the form $S = S_0 +\h^2V$, where $S_0 = \frac 12 \Bigl(-\h^2\Delta_{\bbR^n} + |x|^2\Bigr)$ is the harmonic oscillator and $V:\bbR^n\to\bbR$ is a tempered…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with symmetrical Hydrogen bonds. In our approach, the masses of the Hydrogen nuclei are scaled…
The coherent two-dimensional (2D) electronic spectra with respect to the singlet fission (SF) process in organic molecular aggregates are simulated by the Davydov ansatz combined with the Frenkel-Dirac time-dependent variational algorithm.…
Within the well-established optical response function formalism, a new strategy with the central idea of employing the forward-backward stochastic Schr\"{o}dinger equations in a segmented way to accurately obtain the two-dimensional (2D)…
We study the effect of decoherence on the sub-Planck scale structures of the vibrational wave packet of a molecule. The time evolution of these wave packets is investigated under the influence of a photonic or phononic environment. We…
High harmonic generation (HHG) provides a flexible framework for the development of coherent light sources in the extreme-ultraviolet and soft x-ray regimes. However it suffers from low conversion efficiencies as the control of the HHG…
Lung sounds contain vital information about pulmonary pathology. In this paper, we use short-term spectral characteristics of lung sounds to recognize associated diseases. Motivated by the success of auditory perception based techniques in…
Cluster perturbation theory in combination with the Lanczos method is used to compute the one-electron spectral function of the Holstein polaron in one and two dimensions. It is shown that the method allows reliable calculations using…
Waveform decomposition is needed as a first step in the extraction of various types of geometric and spectral information from hyperspectral full-waveform LiDAR echoes. We present a new approach to deal with the "Pseudo-monopulse" waveform…