I am investigating potential energy surface characteristics of some monomeric interactions(electrostatic) e.g. F-H...F-H.
I'm using dft/mp2(scs) to perform the necessary calculations for single point energy.
Being a little short in basic idea, is it possible to compare single point energy with dimerization energy(electrostatic) between monomers.
A little concept or reference on the concerned matter will be highly appreciated.