[molpro-user] excited state calculation using MRCI
Ashwani Kumar Tiwari
ashwanit at iitk.ac.in
Wed Dec 20 11:34:31 GMT 2006
Thank you very much for your help.
I am trying to do excited state calculation using MRCI level of theory.
I am giving following input after geometry specification:
I get only energy fo the ground state in output file.
Can you please tell me how to get energy of the first excited state.
Thanking you in anticipation
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