spin density matrix

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Posted by Mariusz Radon on March 16, 2006 at 11:44:56:

Dear all,

Please tell me if spin density matrices printed for each root in state-average RASSCF run are expressed in average or natural orbitals (for the current root)? CI expansions are in average orbitals (please, correct me if I'm wrong!), so spin density matrix probably also, but I'd like to be sure about it.

Thanks in advance!

Best regards,
Mariusz

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