[molpro-user] vertical ionization energies from mrci calculations.
Rajagopala Reddy seelam
srgreddyseelam at yahoo.co.in
Tue Feb 24 05:47:09 GMT 2009
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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