Subject: spectroscopic state of an atom

From: Bart Rousseau <[email-masked]>
Date: Thu, 08 Jul 1999 18:06:09 +0200

Hi all,

It seems that I was verry uncareful when writing my previous
message to this list (included below). What I want to now is how
to specify a specific state (in my case the spectroscopic ground
state) for an atom in G94.  Furthermore I don't want the density
>from G94 but the density matrix (from which I will calculate
the denisty myself using another program).

Original message:
>
> Can anybody tell me how I can calculate the electron
> density of the spectroscopic ground state of an atom
> at the SCF and MP2 level with G94?
>

Thanks,
Bart.

--
Bart Rousseau, Ph.D. student
University of Antwerp - Dep. of Chemistry
Structural Chemistry  - Quantum Chemistry
http://sch-www.uia.ac.be/struct/quantum/