Are these definitions correct for the functionals I am trying to define?


Click here for full thread
Just Got Here
7:11:04 AM PST - Wed, Jan 23rd 2013
LC-wPBE
Beulahsu,

Do you know what value of the cam parameter is used in G09 for LC-omegaPBE? That has to be matched in order to get the same results. I compared the results of the implementation in NWChem and Q-Chem for single point energy calculations and TDDFT excitations with LC-omegaPBE a while back and was able to get good agreement, so I'm not sure what's wrong without more information.

Daniel