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- W2000902950 abstract "We assess the accuracy of two non-self-consistent first-principles calculations. The first one is the accuracy of frozen-potential approximation which may be useful for the study of phase diagrams of alloys. Secondly, we show that the structural properties obtained by the self-consistent calculations based on the generalized-gradient approximation (GGA) are accurately reproduced by the non-self-consistent calculations with the GGA functional, using the electron density obtained by the local-spin-density approximation." @default.
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- W2000902950 date "1998-01-01" @default.
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- W2000902950 title "Non-self-consistent first-principles calculations for total-energy differences" @default.
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- W2000902950 doi "https://doi.org/10.1016/s0304-8853(97)00550-7" @default.
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