Direct calculation of the Hartree–Fock interaction energy via exchange–perturbation expansion. The He … He interaction

The Hartree-Fock (HF) equations for the (He)2 system are solved using a suitable exchange perturbation technique. The HF interaction energy is then obtained directly from a rapidly convergent iteration procedure. The method remains convergent for short interatomic distances, where the interaction energy surpasses the energy of intraatomic excitations. The fast convergence of the method is a result of the proper treatment of the exchange-deformation effects. In the region of the van der Waals minimum, these effects account for 50% of the HF deformation energy.

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