Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



State-averaged CIS orbitals

lello
raffaele.borrelli@unito.it


Deal All,

in a few posts it is mentioned that one of the possible choices
of the MCSCF starting guess is to use state-averaged CIS orbitals.
I searched in the forum to find a way to compute them but without
success.

Could someone please post the procedure to obtain state-averaged CIS
with FF?

Thanks in advance,
Lello


[ Previous ] [ Next ] [ Index ]           Sat Sep 28 '13 8:56am
[ Reply ] [ Edit ] [ Delete ]           This message read 1181 times