Related papers: Hamiltonian parameter inference from resonant inel…
In a finite volume, resonances and multi-hadron states are identified by discrete energy levels. When comparing the results of lattice QCD calculations to scattering experiments, it is important to have a way of associating the energy…
Machine learning surrogate models of Kohn-Sham Density Functional Theory Hamiltonians provide a powerful tool for accelerating the prediction of electronic properties of materials, such as electronic band structures and density of states.…
Time-resolved measurements of materials provide a wealth of information on quasiparticle dynamics, and have been the focus of optical studies for decades. In this paper, we develop a theory for explicitly evaluating time-resolved resonant…
Despite the successes of machine learning methods in physical sciences, prediction of the Hamiltonian, and thus electronic properties, is still unsatisfactory. Here, based on graph neural network architecture, we present an extendable…
We determine how the elementary excitations of iridium-oxide materials, which are dominated by a strong relativistic spin-orbit coupling, appear in Resonant Inelastic X-ray Scattering (RIXS). Whereas the RIXS spectral weight at the L2 x-ray…
We develop a novel wave imaging scheme for reconstructing the shape of an inhomogeneous scatterer and we consider the inverse acoustic obstacle scattering problem as a prototype model for our study. There exists a wealth of reconstruction…
Predicting the optical response of macroscopic arrangements of individual scatterers is a computational challenge, as the problem involves length scales across multiple orders of magnitude. We present a full-wave optical method to highly…
High resolution resonant inelastic x-ray scattering (RIXS) has proven particularly effective in the determination of crystal field and spin excitations in cuprates. Its strength lies in the large Cu $L_{3}$ resonance and in the fact that…
A new method is proposed for fitting non-relativistic binary-scattering data and for extracting the parameters of possible quantum resonances in the compound system that is formed during the collision. The method combines the well-known…
We study two-magnon excitations in resonant inelastic x-ray scattering (RIXS) at the transition-metal $K$-edge. Instead of working with effective Heisenberg spin models, we work with a Hubbard-type model ($d$-$p$ model) for a typical…
Many remarkable properties of quantum materials emerge from states with intricate coupling between the charge, spin and orbital degrees of freedom. Ultrafast photo-excitations of these materials hold great promise for understanding and…
We describe regularized methods for image reconstruction and focus on the question of hyperparameter and instrument parameter estimation, i.e. unsupervised and myopic problems. We developed a Bayesian framework that is based on the \post…
We study the resonant inelastic x-ray scattering (RIXS) at the $K$ edge of Ge. We measure RIXS spectra with systematically varying momenta in the final state. The spectra are a measure of exciting an electron-hole pair. We find a single…
Resonant inelastic X-ray scattering (RIXS) spectra of model copper- and nickel-based transition metal oxides are measured over a wide range of energies near the M-edge (h$\nu$=60-80eV) to better understand the properties of resonant…
Hadronic scattering mediated through the strong interaction has been an area of great interest for both theory and experiment. Recently, lattice QCD calculations of scattering processes from first principles have seen remarkable progress,…
First-principles analysis of the spectroscopic signatures of correlated quantum materials poses significant challenges due to the interplay between spin-orbit and vibronic couplings, as well as the need to describe both dynamic and static…
Beyond the conventional trial-and-error method, machine learning offers a great opportunity to accelerate the discovery of functional materials, but still often suffers from difficulties such as limited materials data and unbalanced…
The development of high-brightness free-electron lasers (FEL) has revolutionised our ability to create and study matter in the high-energy-density (HED) regime. Current diagnostic techniques have been very successful in yielding information…
In this study we consider the Hamiltonian approach for the construction of a map for a system with nonlinear resonant interaction, including phase trapping and phase bunching effects. We derive basic equations for a single resonant…
Resonant (elastic) soft x-ray scattering (RSXS) offers a unique element, site, and valence specific probe to study spatial modulations of charge, spin, and orbital degrees of freedom in solids on the nanoscopic length scale. It cannot only…