the major reason for the prediction of thermodynamic properties of mercury lies in the fact that itsintermolecular interactions highly depend on temperature and density. internal pressure is a good criterion toinvestigate the density dependence of the interatomic interactions. because its physical base is a forcetending to close together the molecules that is intermolecular interactions, and as...

We investigate the mechanisms of the nonmetal-metal transitions of Se and Te induced by the volume compression both in the solid and liquid states by the density functional method. The volume compression increases the band width and the system transforms from nonmetal to metal phase both in the crystalline Se and Te. When the system has structural disorder, the energy of the anti-bonding level ...

We have performed quantum molecular dynamics simulations for dense helium to study the nonmetal-to-metal transition at high pressures. We present new results for the equation of state and the Hugoniot curve in the warm dense matter region. The optical conductivity is calculated via the Kubo-Greenwood formula from which the dc conductivity is derived. The nonmetal-to-metal transition is identifi...