A family of intracules,a conjecture and the electron correlation problem

摘要

We present a radical approach to the calculation of electron correlation energies.Unlike conventional methods based on Hartree-Fock or density functional theory,it is based on the two-electron phase-space information in the Omega intracule,a three-dimensional function derived from the Wigner distribution.Our formula for the correlation energy is isomorphic to the Hartree-Fock energy expression but requires a new type of four-index integral.Preliminary results,obtained using a model that is based on the known correlation energies of small atoms,are encouraging.