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- W2006019616 abstract "The energy bands, equilibrium lattice constant, cohesive energy, and bulk modulus of tungsten have been calculated using our new semirelativistic pseudopotential. The agreement with experiment is exceptionally good. This can be attributed to the pseudopotential containing all relativistic effects, except spin-orbit, to order ${ensuremath{alpha}}^{2}$, where $ensuremath{alpha}$ is the fine-structure constant, and to our taking the exchange-correlation potential to be ${V}_{mathrm{xc}}^{mathrm{val}}={V}_{mathrm{xc}}({ensuremath{rho}}_{mathrm{total}})ensuremath{-}{V}_{mathrm{xc}}({ensuremath{rho}}_{mathrm{core}})$ rather than ${V}_{mathrm{xc}}^{mathrm{val}}={V}_{mathrm{xc}}({ensuremath{rho}}_{mathrm{val}})$." @default.
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- W2006019616 date "1983-03-15" @default.
- W2006019616 modified "2023-09-29" @default.
- W2006019616 title "Self-consistent semirelativistic pseudopotential calculation of the energy bands, cohesive energy, and bulk modulus of W" @default.
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- W2006019616 doi "https://doi.org/10.1103/physrevb.27.3152" @default.
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