Related papers: Capturing anharmonic effects in single vibronic le…
We present a novel method for multi-color wavefront measurement of high-order harmonic generation beams using the Talbot effect, validated both theoretically and experimentally for the first time. Each harmonic maintains a unique wavefront…
Due to its highly oscillating solution, the Helmholtz equation is numerically challenging to solve. To obtain a reasonable solution, a mesh size that is much smaller than the reciprocal of the wavenumber is typically required (known as the…
We apply a novel spectral graph technique, that of locally-biased semi-supervised eigenvectors, to study the diversity of galaxies. This technique permits us to characterize empirically the natural variations in observed spectra data, and…
The phonon spectral function of the one-dimensional Holstein model is obtained within weak and strong-coupling approximations based on analytical self-energy calculations. The characteristic excitations found in the limit of small…
Over the past twenty years, the field of plasmonics has been revolutionized with the isolation and utilization of two--dimensional materials, particularly graphene. Consequently there is significant interest in rapid, robust, and highly…
We study graphene with an adsorbed spin texture, where the localized spins create a periodic magnetic flux. The latter produces gaps in the graphene spectrum and breaks the valley symmetry. The resulting effective electronic model, which is…
A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at…
We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m-HfO$_2$) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic…
Non-existence of a local hidden variables (LHV) model for a phenomenon benchmarks its use in device-independent quantum protocols. Nowadays photon-number resolving weak-field homodyne measurements allow realization of emblematic gedanken…
The phonon spectrum of the high-pressure simple cubic phase of calcium, in the harmonic approx- imation, shows imaginary branches that make it mechanically unstable. In this letter, the phonon spectrum is recalculated using…
The detection of fluorescence with submolecular resolution enables the exploration of spatially varying photon yields and vibronic properties at the single-molecule level. By placing individual polycyclic aromatic hydrocarbon molecules into…
This paper presents a performance analysis of the MUltiple SIgnal Classification (MUSIC) algorithm applied on $D$ dimensional single-snapshot spectral estimation while $s$ true frequencies are located on the continuum of a bounded domain.…
Spectral and spectral element methods using Galerkin type formulations are efficient for solving linear fractional PDEs (FPDEs) of constant order but are not efficient in solving nonlinear FPDEs and cannot handle FPDEs with variable-order.…
Accurate quartic anharmonic force fields for CF$_4$ and SiF$_4$ have been calculated using the CCSD(T) method and basis sets of $spdf$ quality. Based on the {\it ab initio} force field with a minor empirical adjustment, the vibrational…
Single-shot hyperspectral wavefront sensing is essential for applications like spatio-spectral coupling metrology in high power laser or fast material dispersion imaging. Under broadband illumination, traditional wavefront sensors assume an…
The $\beta$-correction to the Hartmann-Tran (HT) profile, recently introduced to model the spectral shape of a molecular transition strongly affected by the Dicke narrowing effect (Konefal et al., JQSRT 242 (2020) 106784), the HT profile…
Advances in the field of seismic interferometry have provided a basic theoretical interpretation to the full spectrum of the microtremor horizontal-to-vertical spectral ratio [H/V(f)]. The interpretation has been applied to ambient seismic…
The current state of the art in structural biology is led by NMR, X-ray crystallography and TEM investigations. These powerful tools however all rely on averaging over a large ensemble of molecules. Here, we present an alternative concept…
We have implemented a generic method, based on the 2n+1 theorem within density functional perturbation theory, to calculate the anharmonic scattering coefficients among three phonons with arbitrary wavevectors. The method is used to study…
Cubic phonon interactions are now regularly computed from first principles, and the quartic interactions have begun to receive more attention. Given this realistic anharmonic vibrational Hamiltonian, the classical phonon Green's function…