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- W2060755008 abstract "The authors have calculated the total energy for a simple metal within pseudopotential theory to second order in the pseudopotential. Their work is based on a first-principles nonlocal pseudopotential. The results presented here contain an extra term accounting for the density dependence of the higher-order terms in the total energy. This term is required to equilibrate the system at the observed density and should be included in any low-order expansion of the total energy. A closed-form expression for the energy-wavenumber characteristic is given, from which the pair potential can readily be obtained by a Fourier transform. Also included is a simple and accurate expression for the local field, which gives the electron gas screening." @default.
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- W2060755008 date "1990-12-03" @default.
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- W2060755008 title "Density-dependent potentials for simple metals" @default.
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- W2060755008 doi "https://doi.org/10.1088/0953-8984/2/48/003" @default.
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