[molpro-user] Does NACME include "MO term" contribution?

[You Lue]

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?

Many thanks!

You Lu


-- 
You Lu
Max-Planck-Institut für Kohlenforschung
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Germany
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