CCL:G: G03: separating coulomb, exchange and correlation contributions
- From: "Martijn Zwijnenburg"
<martijn===ri.ac.uk>
- Subject: CCL:G: G03: separating coulomb, exchange and correlation
contributions
- Date: Thu, 8 Feb 2007 09:50:59 -0500
Sent to CCL by: "Martijn Zwijnenburg" [martijn- -ri.ac.uk]
Hi,
Just a quick question. Gaussian 03 prints after a succesfull SCF convergence the
contributions of respective the kinetic, potential and electronic energy to the
total energy. Now I was wondering if it's possible to force gaussian (via a flag
or iop) to further partition the electronic energy in the contributions arising
from respective coulomb, exchange and correlation?
Thanks in advance,
Martijn Zwijnenburg