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Re: Spin density matrix for Post-Hartree–Fock

Alex Granovsky
gran@classic.chem.msu.su


Hi Leonid,

it can be computed for ALDET CI and CASSCF.

Regards,
Alex Granovsky

On Sun Oct 10 '10 1:38pm, Leonid wrote
--------------------------------------
>Dear All,

>Can Firefly calculate and print spin density matrix for MCQDPT, CI, MCSCF, MP2 and other Post-Hartree–Fock methods?
>Or maybe print alpha and beta density matrices or
>natural orbitals for spin density matrix?

>Thank you.


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