[molpro-user] some question about CI

molpro_user lizhengmr at 126.com
Thu Jan 24 01:49:02 GMT 2013


Dear colleagues:
   
             I am a new user of Molpro. I am having troubling about CI calculation of degenerate state. It is obvious that the degenerate  state can calculate separately in CI calculation if they have different symmetry. However, if I use "nosym", does it make sense only to compute one of them?


           I would be very grateful for your suggestion.


best regard


-zhen







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