Figure 2.
Square of overlap between the full-CI/cc-pVDZ wave function of the ground state and initial guess wave functions in H2. Inset: diradical character y0 obtained from the PUHF calculations.
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.