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physics.chem-ph2022
XPS core-level chemical shift by ab initio many-body theory
Iskander Mukatayev, Florient Moevus, Benoît Sklénard +2
X-ray photoemission spectroscopy (XPS) provides direct information on the atomic composition and stoichiometry by measuring core electron binding energies. Moreover, according to t…
physics.chem-ph2020★ 9 cited
Hydrogen molecule spectrum by many-body GW and Bethe-Salpeter equation
Jing Li, Valerio Olevano
We check the ab initio GW approximation and Bethe-Salpeter equation (BSE) many-body methodology against the exact solution benchmark of the hydrogen molecule H ground state and…