Error bound for the Hartree-Fock energy of atoms and molecules
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- Bach, V. Commun.Math. Phys. (1992) 147: 527. doi:10.1007/BF02097241
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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(Z5/3−δ) for any δ<2/21 as the total nuclear chargeZ becomes large.