Onsager model
Dear netters:
I am using the Onsager model to taken into account the solvent
effects.It happens that two structures invert their stabilities when the
polarization energy is included. I know that the polarization is not
included in SCF procedure and the manual looks like that the energy to be
considered is the SCF one.
My question is: what does it happen
with the polarization energy?
Should I include that in my final result, or not?
My best regards,
Antonio Fernandez-Ramos
Room 2013; SIMS
National Research Council
100 Sussex Drive
Ottawa, ON, K1A-0R6
FAX :613-947-2838
Phone: 613-990-0982