[molpro-user] nature of excited states in EOM-CC
anastassia.alexandrova at yale.edu
Thu Nov 12 19:56:49 GMT 2009
Is there a way to know the electronic configuration of excited states, whose
energies are calculated with EOM-CCSD? That is, I need to know the structure
of MOs, or their composition in terms of basis functions, fort he excited
states. My system has no symmetry, so there is no way I could guess the
order of the states EOM produces. Thank you!
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