Related papers: Quantum algorithm for simulating resonant inelasti…
X-ray absorption spectroscopy (XAS) is a leading technique for understanding structural changes in advanced battery materials such as lithium-excess cathodes. However, extracting critical information like oxidation states from the…
Resonant inelastic x-ray scattering (RIXS) has become a very powerful experimental technique to probe a broad range of intrinsic elementary excitations, for example, from low energy phonons and (bi-)magnons to high energy $d$-$d$,…
Understanding quantum materials -- solids in which quantum-mechanical interactions among constituent electrons yield a great variety of novel emergent phenomena -- is a forefront challenge in modern condensed matter physics. This goal has…
The study of elementary bosonic excitations is essential toward a complete description of quantum electronic solids. In this context, resonant inelastic X-ray scattering (RIXS) has recently risen to becoming a versatile probe of electronic…
We develop a formalism for calculating resonant inelastic x-ray scattering (RIXS) spectra in systems of itinerant electrons with arbitrary band structures, accounting for the effect of the positively-charged core hole exactly. We apply this…
Resonant Inelastic X-ray Scattering (RIXS), which probes the occupied and unoccupied electronic subspaces in an interrelated fashion, is one of the most detailed, complex and information-rich experimental techniques employed in the…
X-ray absorption spectroscopy is a crucial experimental technique for elucidating the mechanisms of structural degradation in battery materials. However, extracting information from the measured spectrum is challenging without high-quality…
The capability to probe the dispersion of elementary spin, charge, orbital, and lattice excitations has positioned resonant inelastic x-ray scattering (RIXS) at the forefront of photon science. Here we develop the scattering theory for RIXS…
We present a time-dependent quantum algorithm for nuclear inelastic scattering in the time-dependent basis function on qubits approach. This algorithm aims to quantum simulate a subset of the nuclear inelastic scattering problems that are…
Resonant inelastic x-ray scattering (RIXS) is a well-established tool for studying electronic, nuclear and collective dynamics of excited atoms, molecules and solids. An extension of this powerful method to a time-resolved probe technique…
We present an ab initio theory of core- and valence resonant inelastic x-ray scattering (RIXS) based on a real-space multiple scattering Green's function formalism and a quasi-boson model Hamiltonian. Simplifying assumptions are made which…
I present a tractable theory for the Resonant Inelastic X-ray Scattering (RIXS) spectral function of magnons. The low-energy transition operator is written as a product of local spin operators times fundamental x-ray absorption spectra.…
We develop a formalism to calculate the L-edge resonant x-ray scattering (RIXS) spectra from transition-metal compounds. Using a multi-orbital tight-binding model, we derive useful formulas to calculate the spectra by collecting up the…
Entanglement plays a central role in quantum technologies, yet its characterization and control in materials remain challenging. Recent developments in spectrum-based entanglement witnesses have enabled new strategies for quantifying…
We analyze within quasi-particle theory a recent resonant inelastic x-ray scattering (RIXS) experiment on $\mathrm{YBa_2Cu_3O_{6+x}}$ with the incoming photon energy detuned at several values from the resonance maximum [Minola et al., Phys.…
Resonant inelastic x-ray scattering (RIXS) is an extremely valuable tool for the study of elementary, including magnetic, excitations in matter. Latest developments of this technique mostly aimed at improving the energy resolution and…
Although entanglement is both a central ingredient in our understanding of quantum many-body systems and an essential resource for quantum technologies, we only have a limited ability to quantify entanglement in real quantum materials. Thus…
Ionic pseudopotentials are widely used in classical simulations of materials to model the effective potential due to the nucleus and the core electrons. Modeling fewer electrons explicitly results in a reduction in the number of plane waves…
Identifying model Hamiltonians is a vital step toward creating predictive models of materials. Here, we combine Bayesian optimization with the EDRIXS numerical package to infer Hamiltonian parameters from resonant inelastic X-ray scattering…
In the past decade, Resonant Inelastic X-ray Scattering (RIXS) has made remarkable progress as a spectroscopic technique. This is a direct result of the availability of high-brilliance synchrotron X-ray radiation sources and of advanced…