CCL: Another Gaussian question about spin
- From: Connie Chang <cc236(at)ccmr.cornell.edu>
- Subject: CCL: Another Gaussian question about spin
- Date: Thu, 17 Jun 2004 15:59:45 -0400 (EDT)
Hi --
I was wondering if 1) Gaussian can calculate the exchange energy and 2) if
there's a way to specify which spin electron you want to add? Also, 3) is
there a way to apply a magnetic field to a molecule?
As far as I know, if you want to add a charge onto a molecule, you just
write before the molecule specification:
-1 2
where the -1 is the charge and the 2 is the multiplicity.
Thanks in advance...
Connie