geometry optimization in excited state
Posted: 03 Nov 2014, 00:55
Dear all,
How can i in DALTON perform geometry optimization in EXCITED state using CCSD and CCSD(T) methods?
If yes, also in parallel ? I could n't find any explicit input file for this purpose.
It would be very nice, if some one could provide me with an appropriate example.
Bests
Vito
How can i in DALTON perform geometry optimization in EXCITED state using CCSD and CCSD(T) methods?
If yes, also in parallel ? I could n't find any explicit input file for this purpose.
It would be very nice, if some one could provide me with an appropriate example.
Bests
Vito