[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


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.

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