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Preferred Label : correlation energy;

IUPAC definition : The difference between the Hartree–Fock energy calculated for a system and the exact non-relativistic energy of that system. The correlation energy arises from the approximate representation of the electron-electron repulsions in the Hartree–Fock method.;

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The difference between the Hartree–Fock energy calculated for a system and the exact non-relativistic energy of that system. The correlation energy arises from the approximate representation of the electron-electron repulsions in the Hartree–Fock method.

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05/05/2025


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