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cond-mat.mtrl-sci2026
Full Minimal Coupling All-Electron Real-Time TDDFT for X-Ray-Matter Interactions
Daniel Schacher, Tod A. Pascal, Craig P. Schwartz +1
Standard real-time time-dependent density functional theory (RT-TDDFT) couples light to matter through a spatially uniform (dipole) vector potential, an approximation that breaks d…
cond-mat.mtrl-sci2026
The Surface Sensitivity of X-ray Second Harmonic Generation as a Function of Energy
Daniel Schacher, Tod A. Pascal, Keith V. Lawler +1
The surface sensitivity and probe depth in the x-ray regime of diamond for second harmonic generation (SHG) was investigated both analytically and computationally with velocity gau…