about the symmetry

Tasnadi Ferenc tasnadi at dtp.atomki.hu
Wed Jan 9 12:42:23 GMT 2002

Dear Users!

As I read from the manual, the D2h character table contains only
the spherical symmertic function in its first line. However, two atomic d-
orbital (d(x^2-y^2) and dz^2) belong also to that I.R.. That is why I miss
two D state after FCI calculations.
Dose it cause similar state missing in molecular FCI calculations, when
I use the first I.R. of any symmetry group?

Thank you!
Happy New Year!


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