Skip to main content
. Author manuscript; available in PMC: 2012 Jun 16.
Published in final edited form as: J Phys Chem A. 2011 Apr 18;115(23):6028–6038. doi: 10.1021/jp110438c

Figure 2.

Figure 2

The MOs representing the ionized states of the T1 monohydrate computed by EOM-IP-CCSD and EOM-IP-CCSD/EFP. The errors in IEs due to the EFP approximation are also shown.