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- W2043029107 abstract "Variational calculations based on a special multi-configuration approach are performed for the Li2 ground state in the region between 5 and 30 au. The two-configuration energy E2 reaches its asymptotic limit at 17 au. The difference ED = E12 − E2 called the “dispersion contribution” to the binding energy turns out to be practically equal to the London energy EL = −ϵ6R−6 for R ⩾ 10 au. The wave function of the valence pair in its natural expansion form is compared with its asymptotic counterpart (valid for large R). In the region where the London formula holds the structure of the natural expansion is essentially the same as for R → ∞, but the coefficients of the natural expansion deviate much more from their asymptotic formula as the energy does." @default.
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- W2043029107 date "1970-10-01" @default.
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- W2043029107 title "Potential curve of the Li2 ground state for large internuclear distances. A contribution to the understanding of interatomic forces" @default.
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- W2043029107 doi "https://doi.org/10.1016/0009-2614(70)80313-x" @default.
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