[molpro-user] D_inf_h Vs. D2h
muskatel at fh.huji.ac.il
muskatel at fh.huji.ac.il
Tue Jun 9 09:03:20 BST 2009
Hi,
I am trying to do some calculations on N2 molecule.
This molecule belongs to D_inf_h point group, but for some reason in
the manual there is no character table for that only for D2h.
Also, there is a particular example for N2 molecule given in the
manual using D2h.
In the spectroscopic literature there are only states belonging to
D_inf_h for N2 (Sigma_g_+, Sigma_g_- , Pi_g_ Pi_u etc.) and not D2h
(Ag, B2g, B2g etc ...)
Why is that?
How can I go from one to the other?
Best Regards,
Harel Muskatel.
----------------------------------------------------------------
This message was sent using IMP, the Internet Messaging Program.
More information about the Molpro-user
mailing list