[molpro-user] CCSD(t) for excited state

behnam nikoobakht bnikoobakht at yahoo.com
Thu Jul 30 07:57:32 BST 2015


Dear molpro users,
I have a question:
Is it possible to calculate the excited state energies for a closed shell molecule using CCSD(t) method (without using MRCC program)?What I saw in the manual is for the calcuation of the ground state energy.
If this is doable, it would be nice to let me know the commands for this calculation.
Thank you very much in advance,Behnam
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