Figure 2.
Active space employed for the vertical excitation calculations. The top right image shows the atom numbering used below. This active space was already discussed in ref (33).
Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.