COSMO and UHF?

Click here for full thread

Forum Regular

10:05:37 AM PDT - Fri, May 24th 2013
Hi, This depends on the system. B3LYP has 20% HF in it. If you look at our DFT manual pages you can find information about the other exchange-correlation functionals we currently have. What are specifically looking at with your calculation ? Best regards, -Niri niri.govind@pnl.gov