309 citations · 1.6k across the 39 of their papers we have counts for
40 papers
Benchmark of First-Principles Titanium K-Edge X-Ray Absorption Spectral Simulations on Titanium-containing Oxides
Chuntian Cao, Joshua J. Kas, Karol Dyro +3
X-ray absorption spectroscopy (XAS) is a powerful, element-specific probe for investigating the local structural and electronic properties of materials. However, quantitative analy…
Non-resonant two-photon x-ray absorption in Cu
J. J. Kas, J. J. Rehr, J. Stohr +1
We present a real-space Green's function theory and calculations of two-photon x-ray absorption (TPA). Our focus is on non-resonant K-shell TPA in metallic Cu, which has been obser…
Time-resolved X-ray Spectroscopy from the Atomic Orbital Ground State Up
Daniel Jost, Eder G. Lomeli, Ta Tang +6
X-ray spectroscopy has been a key method to determine ground and excited state properties of quantum materials with atomic specificity. Now, new x-ray facilities are opening the do…
Core-to-Core X-ray Emission Spectra from Wannier Based Multiplet Ligand Field Theory
Charles Cardot, Joshua Kas, Jared Abramson +2
Recent advances using Density Functional Theory (DFT) to augment Multiplet Ligand Field Theory (MLFT) have led to ab-initio calculations of many formerly empirical parameters. This…
Real-space Green's function approach for intrinsic losses in x-ray spectra
J. J. Kas, J. J. Rehr
Intrinsic inelastic losses in x-ray spectra originate from excitations in an interacting electron system due to a suddenly created core-hole. These losses characterize the features…
High-temperature self-energy corrections to x-ray absorption spectra
Tun S. Tan, J. J. Kas, S. B. Trickey +1
Effects of finite-temperature quasiparticle self-energy corrections to x-ray absorption spectra are investigated within the finite-temperature quasiparticle local density GW approx…