Subject: Dipole moment using G03

From: Paul Fleurat-Lessard <Paul.Fleurat-Lessard |a| ens-lyon.fr>
Date: Wed, 23 Feb 2005 18:48:45 +0100

Dear CClers,

I would like to use G03 for a practical session with my students. In 
that session, I would like to calculate the dipole moment for LiH and 
FH. I know how to do this with G03, so no problem here !
My problem is that I would have like my students to estime this dipole 
moment 'by hand', ie I give them the value of some integrals like
<2s(Li)|z|1s(H)> and they calculate the coefficients of the MO so that 
they can deduce the dipole moment by themselves.

Do you know how I can ask G03 to print this kind of integrals ?

Thanks in advance,
Paul.

-- 
Fleurat-Lessard Paul, Lecturer  e-mail: Paul.Fleurat-Lessard |a| ens-lyon.fr
Laboratoire de Chimie
Ecole Normale Supirieure de Lyon              Tel: + 33 (0)4 72 72 81 54
46, Allie d'Italie                            Fax: + 33 (0)4 72 72 88 60
69364 Lyon Cedex 07

Si vous ne pouvez expliquer un concept ` un enfant de six ans,
c'est que vous ne le comprenez pas complhtement.
                  Albert Einstein