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 I.

CVS-CCSD core ionisation potentials (eV).

System Basis Ionization CCSD ΔUGA-SUMRCC2  Expt.
H2 cc-pVDZ  O 1s−1  543.34a  541.97  539.78 
  cc-pVTZ    540.68a  539.02   
  cc-pCVTZ    541.15a  539.24   
CO  cc-pVTZ  C 1s−1  296.98a  295.25  296.2b 
  cc-pCVTZ    297.54a  295.67   
  cc-pVTZ  O 1s−1  543.71a    542.5b 
  cc-pCVTZ    544.18a     
N2  cc-pVTZ  N 1s−1  410.52    409.9b 
  cc-pCVTZ    411.04     
HF  cc-pVTZ  F 1s−1  695.02a    693.80 
  cc-pCVTZ    695.44a  693.40   
  cc-pVTZ    694.86c     
  cc-pCVTZ    695.27c     
System Basis Ionization CCSD ΔUGA-SUMRCC2  Expt.
H2 cc-pVDZ  O 1s−1  543.34a  541.97  539.78 
  cc-pVTZ    540.68a  539.02   
  cc-pCVTZ    541.15a  539.24   
CO  cc-pVTZ  C 1s−1  296.98a  295.25  296.2b 
  cc-pCVTZ    297.54a  295.67   
  cc-pVTZ  O 1s−1  543.71a    542.5b 
  cc-pCVTZ    544.18a     
N2  cc-pVTZ  N 1s−1  410.52    409.9b 
  cc-pCVTZ    411.04     
HF  cc-pVTZ  F 1s−1  695.02a    693.80 
  cc-pCVTZ    695.44a  693.40   
  cc-pVTZ    694.86c     
  cc-pCVTZ    695.27c     
a

At ground-state geometry of Ref. 2.

b

From the compilations in Refs. 3 and 4.

c

At ionized-state geometry of Ref. 2.

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