Related papers: Cost-Efficient High-Resolution Linear Absorption S…
We present a simple 'shift-and-add' based improvement in the angular resolution of single electron backscatter diffraction (EBSD) patterns. Sub-pixel image registration is used to measure the (sub-pixel) difference in projection parameters…
When calculating the optical absorption spectra of molecular crystals from first principles, the influence of the crystalline environment on the excitations is of significant importance. For such systems, however, methods to describe the…
We report a numerical calculation of the two-photon absorption coefficient of electrons in a binding potential using the real-time real-space higher-order difference method. By introducing random vector averaging for the intermediate state,…
We demonstrate a two-dimensional time-domain spectroscopy method to extract amplitude and phase modifications of excited atomic states caused by the interaction with ultrashort laser pulses. The technique is based on Fourier analysis of the…
The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used…
We present a real-time propagation method for computing linear and nonlinear optical properties of molecules based on the Bethe-Salpeter equation. The method follows the time evolution of the one-particle density matrix under an external…
We describe and implement a numerical method for modelling the frequency-dependent power-law absorption of ultrasound in tissue, as governed by the first order linear wave equations with a loss taking the form of a fractional time…
A computationally inexpensive k.p-based interpolation scheme is developed that can extend the eigenvalues and momentum matrix elements of a sparsely sampled k-point grid into a densely sampled one. Dense sampling, often required to…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…
We derive and showcase a novel approach to approximating Fourier transforms in higher dimensions, focusing specifically on the case of 2D radially concentrated ('ring-like') functions. We first reduce the problem to that of evaluating the…
We formulate and demonstrate experimentally the high-resolution spectral method based on Bloch-wave symmetry properties for extracting mode dispersion in periodic waveguides from measurements of near-field profiles. We characterize both the…
The resolution limits of classical spectroscopy can be surpassed by quantum-inspired methods leveraging the information contained in the phase of the complex electromagnetic field. Their counterpart in spatial imaging has been widely…
We consider finite approximations of a fractal generated by an iterated function system of affine transformations on $\mathbb{R}^d$ as a discrete set of data points. Considering a signal supported on this finite approximation, we propose a…
This work presents a highly optimized computational framework for the Discrete Dipole Approximation, a numerical method for calculating the optical properties associated with a target of arbitrary geometry that is widely used in…
We present an application of our new theoretical formulation of quantum dynamics, moment propagation theory (MPT) (Boyer et al., J. Chem. Phys. 160, 064113 (2024)), for employing machine-learning techniques to simulate the quantum dynamics…
The phonon-assisted interband optical absorption spectrum of silicon is calculated at the quasiparticle level entirely from first principles. We make use of the Wannier interpolation formalism to determine the quasiparticle energies, as…
Radiative transfer coupled with highly realistic simulations of the solar atmosphere is routinely used to infer the physical properties underlying solar observations. Due to its computational efficiency, the method of short-characteristics…
Recollision physics and attosecond pulse generation meld the precision of optics with collision physics. As a follow-up to our previous work, we reveal a new direction for the study of electronic structure and multielectron dynamics by…
This contribution introduces a novel signal extrapolation algorithm and its application to image error concealment. The signal extrapolation is carried out by iteratively generating a model of the signal suffering from distortion. Thereby,…
In the presence of a (time-dependent) macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic…