First principles molecular dynamics of dense plasmas.
Ab initio molecular dynamics calculations are performed for the equation of state of aluminum, spanning condensed matter and dense plasma regimes. Electronic exchange and correlation are included with either a zero- or finite-temperature local density approximation potential. Standard methods are extended to above the Fermi temperature by using final state pseudopotentials to describe thermally excited ion cores. The predicted Hugoniot equation of state agrees well with earlier plasma theories and with experiment for temperatures from 0 to 3 x 10(6) K.
Surh
M P
MP
Lawrence Livermore National Laboratory, University of California, Livermore, California 94551, USA.
Barbee
T W
TW
Yang
L H
LH