Defining orbitals

From: Christopher Thompson <cdth~at~unimelb.edu.au>
Subject: Defining orbitals
Date: Fri, 10 Jun 2005 12:09:28 +1000

Gday,

I would like to do an MP2 calc on a Li- species in triplet state.

With one electron in the s orbital and one in a p orbital,
how can you constrain the electron to say the px orbital?

Cheers,
cdth~at~unimelb.edu.au

Christopher Thompson
Laser Spectroscopy Group
School of Chemistry
University of Melbourne