1. Dipòsit Digital de la Universitat de Barcelona

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Issue DateTitleAuthor(s)
1993Measures of ionicity of alkaline-earth oxides from the analysis of ab initio cluster wave functionsPacchioni, Gianfranco; Sousa Romero, Carmen; Illas i Riera, Francesc; Parmigiani, Fulvio; Bagus, Paul S.
2020Limitations of the equivalent core model for understanding core-level spectroscopiesBagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc
Jun-2017Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative casePueyo Bellafont, Noèlia; Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc
19-Apr-2019Differential many-body effects for initial and core-ion states: impact on XPS spectraBagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc
19-Jul-2019Approaching multiplet splitting in X-ray photoelectron spectra by density functional theory methods: NO and O2 molecules as examplesSousa Romero, Carmen; Bagus, Paul S.; Illas i Riera, Francesc
2016Consequences of electron correlation for XPS binding energies: Representative case for C(1s) and O(1s) XPS of COBagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc

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