THE DYNAMIC STRUCTURE OF LIQUID LITHIUM - RESULTS FOR A NEW-TYPE OF INTERACTION

The static and dynamic structure of liquid lithium (470 K) in a comput er experiment were investigated using a new type of interaction: the p air potential is constructed from an ab initio molecular dynamics meth od which makes the effective interionic potential self-consistent with the radial distribution functions on the basis of the quantal hyperne tted-chain theory, Comparisons of the new calculations both with data obtained in ab initio simulations and with transport properties show v ery good agreement and thus justify the use of a more sophisticated in teratomic pair potential.