CCSDT and excited states

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Posted by Jellby on June 25, 2007 at 17:19:55:

Hi all,

Is it possible (and does it have any sense at all) to make a CCSD(T) calculation for an excited state? Will it take the appropriate root from the previous RASSCF run?

Note that I'm not planning to make this kind of calculation right now, I'm just writing some communication routines between molcas and other programs, so I want to explore its capabilities and the kind of input and output needed.

Thanks

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