1 citations · 1 across the 2 of their papers we have counts for
3 papers
Ab Initio Calculations of XUV Ground and Excited States for First-Row Transition Metal Oxides
Isabel M. Klein, Alex Krotz, Jonathan M. Michelsen +1
Transient X-ray spectroscopies have become ubiquitous in studying photoexcited dynamics in solar energy materials due to their sensitivity to carrier occupations and local chemical…
Ab Initio Prediction of Excited State and Polaron Effects in Transient XUV Measurements of -FeO
Isabel M. Klein, Hanzhe Liu, Danika Nimlos +2
Transient X-ray and extreme ultraviolet (XUV) spectroscopies have become invaluable tools for studying photoexcited dynamics due to their sensitivity to carrier occupations and loc…
A Reciprocal-Space Formulation of Mixed Quantum-Classical Dynamics
Alex Krotz, Justin Provazza, Roel Tempelaar
We derive a formulation of mixed quantum-classical dynamics for describing electronic carriers interacting with phonons in reciprocal space. For dispersionless phonons, we start by…