First-Principle-Based Calculations of the Hugoniot of Cu

The equation of state of face-centred-cubic (fcc) copper rystals at pressures up to 500GPa and relative volume to 0.55 ave been evaluated by using the full-potential linear muffin-tin rbital (FPLMTO) total-energy method combining with a mean-field odel of the vibrational partition function. The mean-field is onstructed from the sum of all the pair potentials between the eference atom and the others of the system. The alculated roperties are in good agreement with the available shock-wave xperimental measurements.