Subject: BSSE

From: "Olegas Eicher-Lorka" <[email-masked]>
Date: Thu, 23 May 2002 15:56:03 +0200

Dear all,

In the "standard" BSSE equation (for a dimer AB):

BSSE(AB) = E(AB)^AB - E(A)^A - E(B)^B + [E(A')^A - E(A')^AB + E(B)^B - E(B)^AB]

I've got most of the parameters, but how in G98W do I calculate E(A)^AB and E(B)^AB, i.e. the energy of the monomer units in terms of the dimer basis set.

Thanks

Olegas