Can correlation bring electrons closer together?
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Pearson, Kenneth
Gill, Peter
Uglade, Jesus
Boyd, Russell
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Taylor & Francis Group
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We discuss the exact Coulomb hole for the ground state of the helium atom and helium-like ions. We find that the correlated wavefunction yields a smaller probability of finding the electrons at large separations than does the Hartree-Fock wavefunction, leading to the counterintuitive conclusion that correlation brings distant electrons closer together. This effect becomes less pronounced as the nuclear charge increases.
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Molecular Physics
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2037-12-31
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