

Dear Dr. Wallenborn,

you did not specify your system of interest, which would
have been helpfull ...

Anyway, if your system gets to large you should consider
using a semiempirical method like PPP (pi-electrons only)
or the INDO/S hamiltonian! The INDO/S (and ZINDO also)
hamiltonians where parametrized for spectroscopy
and often give results comparable or even superior
to ab initio calculations - especially on larger
molecules!

Hope this helps!

Cheers,

Ferenc

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