A statistical method is used to calculate thermodynamic properties of Ar, Kr and Xe (isobaric and isochoric heat capacity, bulk modulus, thermal expansion coefficient, interatomic distances, Grüneisen parameter), and good ...

We have studied the electronic energy bands for the structures whose primitive cell contains up to four molecules, with full optimization of the structures, based on the GGA and LDA band calculations. Above 250 GPa, the ...