Printing reference weight in RS2 calculations
rborrelli at unisa.it
rborrelli at unisa.it
Fri Oct 3 13:32:29 BST 2003
Dear Valerie,
did you have any success in printing out the reference weight after a RS2
calculation? I'm trying to get the same information but I don't know
hot to work it out. The only values that I can see after the CASPT2
are the norms of the I, S and P spaces. It seems that one should
take the sum of all this norms add the reference weight (1) and then
recalculate all the weights, but I am not sure.
Thanks,
Raffaele.
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Raffaele Borrelli
Dipartimento di Chimica
Universita' di Salerno
via S. Allende, 84081
Baronissi (SA)
office: +39-098895364
email: rborrelli at unisa.it
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