Ab initio calculations of the cohesive energy and the bulk modulus of Aluminium
نویسندگان
چکیده
To date there have been few attempts to calculate bulk properties such as the cohesive energy or the bulk modulus of metals using Monte Carlo methods. We present a variational Monte Carlo calculation of aluminium and find that methods used to deal with finite-size effects work just as well as in insulators, despite the presence of a Fermi surface. However, the large statistical uncertainties are a problem when evaluating the bulk modulus.
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