Abstract
The static and dynamic structure of liquid lithium (470 K) in a computer experiment were investigated using a new type of interaction: the pair potential is constructed from an ab initio molecular dynamics method which makes the effective interionic potential self-consistent with the radial distribution functions on the basis of the quantal hypernetted-chain theory. Comparisons of the new calculations both with data obtained in ab initio simulations and with transport properties show very good agreement and thus justify the use of a more sophisticated interatomic pair potential.
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