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- W2155921611 abstract "The exchange energy of Ne2 is calculated from an antisymmetrized product of Ne SCF wave functions in the range 4–8 bohr. Taking the best SCF orbitals (near Hartree-Fock) as standard, the single Slater basis gives energies that are considerably different in this range, and even the double-zeta basis gives energies that differ by a factor of five at the upper limit of the range. A combination of the best Clementi energy with the multipolar expression for the dispersion energy (up to R -10) gives a potential curve in good agreement with that deduced from experimental data" @default.
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- W2155921611 date "1974-04-01" @default.
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- W2155921611 title "The exchange energy between neon atoms" @default.
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- W2155921611 doi "https://doi.org/10.1080/00268977400100791" @default.
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