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- W2013040964 abstract "The effect on pseudopotential form factors of a step in the atomic potential is investigated. From an analytic approximation to such muffin-tin potentials, $V(q)$ curves are calculated for Al and several semiconductors. Although a cutoff at the Wigner-Seitz radius leads to form factors surprisingly close to experimental values, the results are rather poor for a step at the inscribed-sphere radius. By adjusting the step parameter ${U}_{0}$, one may obtain rough agreement either with the Friedel sum rule at $q=0$ or near the first reciprocal lattice vectors. But no satisfactory approximation is found over as wide a range of $q$ as required e.g., in the calculation of electron-phonon interactions for the determination of phonon spectra." @default.
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- W2013040964 date "1968-10-15" @default.
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- W2013040964 title "Form Factors of Truncated Atomic Potentials" @default.
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- W2013040964 doi "https://doi.org/10.1103/physrev.174.663" @default.
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