[molpro-user] Canonicalization of ROHF orbitals

Luís Pedro Viegas lpviegas at ci.uc.pt
Thu Apr 23 18:20:18 BST 2009

Dear molpro users:

I searched the manual for information about the canonicalization of the
ROHF orbitals in molpro, but I was unsuccessful. There are many methods
available (Roothan, Guest and Saunders, Davidson, etc) and I would like
to know which one is implemented in molpro.

Best regards,

Luís Pedro Viegas

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