From owner-chemistry- at -ccl.net Fri Sep 12 07:16:00 2014
From: "Limor shenar Jackson limorsj ~~ gmail.com" <owner-chemistry:-:server.ccl.net>
To: CCL
Subject: CCL: Implementing caculation of SAB overlap of two Kohn-Sham determinants
Message-Id: <-50492-140912062807-4395-Fqk45eP5S3z5OIOyLjKgOw:-:server.ccl.net>
X-Original-From: "Limor shenar Jackson" <limorsj^gmail.com>
Date: Fri, 12 Sep 2014 06:28:06 -0400


Sent to CCL by: "Limor shenar Jackson" [limorsj ~ gmail.com]
Hello,

I would like to implement SAB=<psiA|psiB>which is the overlap of two Kohn-Sham determinants of 
two diabatic states. Can anybody help me with this calculation? For case of SAA and SBB it is required 
to get the value 1.

Thank you!