Figure 5.
The relative error (in eV) of the first singlet excitation energy of pHBDI− as a function of the energy threshold (in eV) used in the reduction of the virtual space is shown for different sizes of the basis set.
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.