Hi Molpro users,
I am running some EOM CCSD calculations, and I am trying to determine how much my calculated transitions are singly and doubly excited.
Can anyone point me in a direction of a paper or some documentation, where the character of excitation is defined, and it is described how it is calculated?
I have so far not found anything in the molpro manual, or by googling this and related terms.
Thank you in advance,
Nanna
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