[molpro-user] Does NACME include "MO term" contribution?
youlue at mpi-muelheim.mpg.de
Tue Nov 18 08:04:44 GMT 2008
Dear Molpro authors and users,
I would like to know whether the NACME derived from analytical NACM in Molpro includes the contribution of "MO term".
As we know,
NAC vector = hIJ/(UJ-UI) + "MO term" (See Toniolo, Ben-Nun, Martinez JPCA 2002).
Though the second term is often neglected in many treatments, is it considered in Molpro CP-MCSCF?
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