MP2-based composite extrapolation schemes can predict core-ionization energies for first-row elements with coupled-cluster level accuracy

Anton Morgunov, Henry K. Tran, Oinam Romesh Meitei +2

X-ray photoelectron spectroscopy (XPS) measures core-electron binding energies (CEBEs) to reveal element-specific insights into chemical environment and bonding. Accurate theoretic…