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Photoemission from Semi-Infinite Crystals: First-Principles Scattering States and Quantitative Ag(111) Validation
Photoemission is an escape problem, yet first-principles calculations usually trap the electron in a periodic box. We present a parameter-free \emph{ab initio} framework that removes this artificial boundary by constructing open scattering states for semi-infinite crystal-vacuum interfaces from Wann
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