[molpro-user] Excited state optimization

Yann Tambouret yannpaul at bu.edu
Sat Apr 16 15:40:18 BST 2005

Hey molpro user group,

I want to do a geometry optimization of an excited state using SA-MCSCF 
level of theory. I understand that I need to use the CPMCSCF card to 
specifiy the state that I'd like optimized, but is there anything else 
that I need to specify on the OPTG command?

Thanks for your time,

Yann Tambouret
Boston University

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