[molpro-user] CASSCF excited states

ashutosh gupta urchuia at yahoo.co.in
Wed Jun 6 18:53:00 BST 2007


Dear All,
I am able to run ground state calculations using
CASSCF:

CASSCF;
{core,10,0
closed,18,0
occ,23,7

Can anyone please tell me how to do excited states
caulations using CASSCF method?


Thanking you

yours sincerely
Ashutosh


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