[molpro-user] components of pi

ZOUWL qcband at gmail.com
Sat Jul 19 20:11:33 BST 2014


Hello,

You have to write a script to recognize the quantum numbers of Omega in
full point group, where the basic ideas have been outlined in the paper J.
Chem. Phys. 2006, 124, 154312, Table 2.

Wenli

On Sat, Jul 19, 2014 at 4:00 AM, Assaf Joumana <
joumana.assaf at ed.univ-lille1.fr> wrote:

> Hi,
> Please, I calculate a quadruplet pi state wchich has four components:
> 1/2,1/2,3/2,5/2.
> How could I  differenciate between the (1/2) components knowing that are
> not degenerate.
> Thank you for your response
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