Dimensional Scaling for Electronic Structure (Physics)

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It is proposed to extend a dimensional scaling treatment to multielectron atoms and molecules, by recasting conventional electronic structure calculations to incorporate the properties exactly calculable in limits of dimension D one and infinity. In the two electron atom such a treatment leads to accurate electronic energies, and from this perspective the poor performance of conventional methods is chiefly due to failure to conform to the dimensional limits. Correlation energy is nearly linear in inverse dimension; the Hatree-Fock treatment can be modified to become exact in the infinite dimension limit and this modification accounts for most of the correlation energy in the three dimensional case.