Alex Granovsky
gran@classic.chem.msu.su
it can be computed for ALDET CI and CASSCF.
Regards,
Alex Granovsky
On Sun Oct 10 '10 1:38pm, Leonid wrote
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>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.