Energetics of undercooled liquid metals

The role of basic interactions (i.e. electron-electron, ion-ion and electron-ion) on the energetics of undercooled (T ≪ T_m) liquid metallic system has been investigated within the first-principle approach of pseudopotential perturbation theory and the Gibbs-Bogoliaubov variational method. Its application is made to Na and T-dependence of internal energies, interatomic pair potentials, entropies and heat capacities are obtained in the region T ≪ T_m. Various entropie contributions in the undercooled region decrease much faster than the enthalpic terms. Heat capacities calculated both from entropy and enthalpy terms increase with decreasing T in the undercooled region, and exhibit anomalous behaviour at a temperature which is interpreted as glass transition temperature.