Abstract
We have studied the structure and dynamics of liquid lithium (pure 7Li) in a computer experiment: the states (470, 526 and 573K) correspond exactly to those investigated recently in neutron scattering experiments by Verkerk and co-workers. Instead of a potential based on a simple local pseudopotential which is usually sufficient for the alkali metals we have used a potential which is based on a non-local OPW-pseudopotential. Both single-particle and collective correlation functions have been calculated. For all temperatures we achieve very good agreement for the total dynamic structure factor. Also the diffusion constant, the specific heat at constant volume and the adiabatic velocity of sound extracted from our data are in good agreement with the experimentally determined values.
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