CCL: Electron correlation
- From: "Priyam Bharadwaz"
<priyambharadwaz|*|gmail.com>
- Subject: CCL: Electron correlation
- Date: Wed, 6 Jan 2016 09:50:05 -0500
Sent to CCL by: "Priyam Bharadwaz" [priyambharadwaz_._gmail.com]
Dear CCL members,
I am planning to study the effect of electron correlation on the Singlet-Triplet
gaps of some carbenes. I am using the PBE1PBE or PBE0 functional and 6-31+G*
basis set as implemented in the G09 suite of programs. I would like to know what
IOPs or keywords I have to use to extract/delete the electron correlation
component from the above mentioned functional.
With regards,
Priyam