Skip to main content
. 2016 Mar 16;7:11013. doi: 10.1038/ncomms11013

Table 2. Calculated Rydberg binding energy (in eV) of 3sD and 3sL states for MP2 optimized DMP-L+ and DMP-D+ structures using the EOM-CCSD and PZ-SIC methods.

Method 3sD 3sL
PZ-SIC 2.71 2.87
EOM-CCSD 2.65 2.72
Experiment 2.70 (0.03) 2.81 (0.04)

EOM-CCSD, equation of motion coupled cluster method with single and double excitations; PZ-SIC, Perdew and Zunger self-interaction correction.