Abstract
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.
Original language | English |
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Pages (from-to) | 15-25 |
Number of pages | 11 |
Journal | Physical Chemistry Chemical Physics |
Volume | 8 |
Issue number | 1 |
DOIs | |
Publication status | Published - 2006 |