Intermolecular interactions. Potential energy curves for H2-H2 system in two different MO basis sets

In a frozen CI basis two MO basis sets have been studied, an SCF MO and an orthogonal localized molecular orbital (OL MO) one. It is expected to reproduce the potential energy curve calculated by means of an SCF MO CI procedure with an OL MO CI which is less time consuming and more easily interpreted than the former. The quantitative reproduction is not satisfactory; nevertheless numerical results show that one is still able to get qualitative information. In both procedures all integrals have been considered and calculated on a gaussian basis.