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- W2091987669 abstract "We present a new procedure for the self-interaction correction, taking into account the contribution from atomic regions. It much improves the calculated energy band gaps of diamond, Si, AlAs, and GaAs and superlattices of ${(mathrm{AlAs})}_{1}$${(mathrm{GaAs})}_{1}$ and ${(mathrm{AlAs})}_{2}$${(mathrm{GaAs})}_{2}$ compared with the local-density approximation." @default.
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- W2091987669 date "1986-12-15" @default.
- W2091987669 modified "2023-09-23" @default.
- W2091987669 title "Self-interaction correction to the local-density approximation in the calculation of the energy band gaps of semiconductors based on the full-potential linearized augmented-plane-wave method" @default.
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- W2091987669 doi "https://doi.org/10.1103/physrevb.34.9042" @default.
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