[molpro-user] vertical ionization energies from mrci calculations.

[Rajagopala Reddy seelam]

Dear all,

         I would like to calculate the vertical ionization energies of an anion ( say b5 cluster anion) for four states (X, A, B and C states). Is it possible to calculate them by using MRCI program?
                                
                     Thank you in advance,
                                                                                    Rajagopala Reddy Seelam



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