First-principles calculation of transport coefficients

We demonstrate the practical feasibility of calculating transport coefficie nts such as the viscosity of liquids completely from first principles using the Creen-Kubo relations. Results presented for liquid aluminum are shown to have a statistical error of only ca. 5%. The importance of such calculat ions is illustrated by results for a liquid iron-sulfur alloy under Earth's core conditions, which indicate that the viscosity of the liquid outer cor e is no more than an order of magnitude higher than that of typical liquid metals under ambient conditions. [S0031-9007(98)07869-7].