Browsing by Author Pueyo Bellafont, Noèlia
Showing results 1 to 4 of 4
Issue Date | Title | Author(s) |
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Jun-2017 | Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case | Pueyo Bellafont, Noèlia; Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc |
28-Jan-2016 | Performance of Minnesota functionals on predicting core-level binding energies of molecules containing main-group elements | Pueyo Bellafont, Noèlia; Alvarez Saiz, Gabriel; Viñes Solana, Francesc; Illas i Riera, Francesc |
12-Jan-2016 | Performance of the TPSS functional on predicting core level binding energies of main group elements containing molecules: a good choice for molecules adsorbed on metal surfaces | Pueyo Bellafont, Noèlia; Viñes Solana, Francesc; Illas i Riera, Francesc |
29-Jan-2017 | Predicting core level binding energies shifts: suitability of the projector augmented wave approach as implemented in VASP | Pueyo Bellafont, Noèlia; Viñes Solana, Francesc; Hieringer, Wolfgang; Illas i Riera, Francesc |