Skip to main content
. 2019 Apr 22;4(4):7265–7284. doi: 10.1021/acsomega.8b03500

Figure 15.

Figure 15

Dependence of the excitation energies found by gas-phase sTD-DFT at the CAM-B3LYP/6-31G(d) level of theory for H2[(β-MeO)8Pc] and Zn[(β-MeO)8Pc] on the energy threshold up to which configuration state functions (CSFs) are included.