Page 179 - Strategies and Applications in Quantum Chemistry From Molecular Astrophysics to Molecular Engineer

162 O. SALVETTI

From (1) and (6), (8) we then obtain

The in (21), are the coefficients of the two center expansion of the potential energy
of interaction of two non overlapping charge distributions. [12].
To obtain the contribution only from calculations over type functions and from
atomic data one needs a more detailed analysis of the equations. Let us consider the
following form of Fock operator

To obtain matrix elements of we have

But from (18-19) and (7-13) one obtains

In order to derive Gv matrix elements, we consider the bielectronic integral
which can be written