CALCULATION OF THE SURFACE TENSION OF LIQUID METAL LI AND ITS TEMPERATURE DERIVATIVE

The surface tension of liquid metal Li and its temperature derivative are calculated using the density-functional theory within the gradient approximation1. A new method for the determination of four parameters is proposed. In the method the pseudopotential parameters rc and rco, the hard-sphere diameter σ, and the hard-sphere packing fraction η are evaluated simultaneously using the experimental data of the isothermal compressibility and density of the liquid at meltingpoint and zero pressure, the defini...