Abstract
We estimate the error of the Hartree-Fock energy of atoms and molecules in terms of the one-particle density matrix corresponding to the exact ground state. As an application we show this error to be of orderO(Z 5/3−δ) for any δ<2/21 as the total nuclear chargeZ becomes large.
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Bach, V. Error bound for the Hartree-Fock energy of atoms and molecules. Commun.Math. Phys. 147, 527–548 (1992). https://doi.org/10.1007/BF02097241
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DOI: https://doi.org/10.1007/BF02097241