Correlation energies obtained from symmetry-adapted versus symmetry-broken Hartree-Fock

Reinhardt, P.; Malrieu, J.-P.
January 1999
Journal of Chemical Physics;1/8/1999, Vol. 110 Issue 2, p755
Academic Journal
Determines correlation energies obtained from symmetry-adapted versus symmetry-broken Hartree-Fock solutions in a model delocalized one-dimensional system. Finite gap at the Fermi level exhibited by the symmetry-broken solutions; Extrapolation of the gap for symmetry-adapted solutions.


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