Abstract

Configuration interaction wavefunctions were computed for the satellite peaks in the core and the valence photoelectron spectra of H 2O. Relative intensities were computed in the sudden approximation including electron correlation in the neutral ground state. The intensity profile of the O 1s ESCA spectrum is understood in terms of single excitations from the 3a 1 and the 1b 1 orbitals to low lying virtual MOs. Strong correlation effects are observed for the levels in the inner valence region where the satellites derive their intensity both from the 2a 1 and 3a 1 MOs.

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