Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

Re: Spin density matrix for Post-Hartree–Fock

Alex Granovsky

Hi Leonid,

it can be computed for ALDET CI and CASSCF.

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.

[ Previous ] [ Next ] [ Index ]           Mon Oct 11 '10 7:18am
[ Reply ] [ Edit ] [ Delete ]           This message read 967 times