Erratum: Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework (Journal Of Chemical Physics (2015) 143 (181103))

Coriani, Sonia; Koch, Henrik

doi:10.1063/1.4964714

Due to an unfortunate error, an exchange contribution was missing in the computed core-ionization potentials collected in Table III of Ref. 1. The revised values of the ionization potentials are collected in Table I below. Even though the revision does not alter the main conclusions of our previous study, it does deteriorate the agreement between CCSD results and experiment. We note that this is not due to the core-valence separation itself, as we verified by applying the perturbative correction to the ionization potentials. (table presented).

Titolo:	Erratum: Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework (Journal Of Chemical Physics (2015) 143 (181103))
Autori:	CORIANI, Sonia KOCH, Henrik
Data di pubblicazione:	2016
Rivista:	THE JOURNAL OF CHEMICAL PHYSICS
Digital Object Identifier (DOI):	http://dx.doi.org/10.1063/1.4964714
Parole Chiave:	Physics and Astronomy (all); Physical and Theoretical Chemistry
Handle:	http://hdl.handle.net/11384/69628
Appare nelle tipologie:	1.1 Articolo in rivista

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