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First-principles molecular dynamics simulations having a duration of 8 pshave been used to study the static, dynamic and electronic properties of l-Gaat the temperatures 702 K and 982 K. The simulations use the density-functionalpseudopotential method and the system is maintained on the Born-Oppenheimersurface by conjugate gradients relaxation. The static structure factor andradial distribution function of the simulated system agree very closely withexperimental data, but the diffusion coefficient is noticeably lower thanmeasured values. The long simulations allow us to calculate the dynamicalstructure factor $S(q,\omega)$. A sound-wave peak is clearly visible in$S(q,\omega)$ at small wavevectors, and we present results for the dispersioncurve and hence the sound velocity, which is close to the experimental value.The electronic density of states is very close to the free-electron form.Values of the electrical conductivity calculated from Kubo-Greenwood formulaare in satisfactory accord with measured data.Comment: REVTEX version + 8 Postscript figure

Static, dynamic, and electronic properties of liquid gallium studied by first-principles simulation