Volumetric thermal expansion coefficients of the equiatomic Na–K and K–Rb melts

详细

The volumetric thermal expansion coefficients of the equiatomic Na–K and K–Rb melts at 373 K are calculated using variational method with an additive hard-sphere reference system. It is found that the Krasko–Gurskii model pseudopotential with the exchange-correlation Geldart–Vosko function yields better agreement with the experimental data as compared to the local Animalu–Heine pseudopotential with the exchange-correlation Toigo–Woodruff function.