Ground state energy of solid metallic hydrogen by the Wigner-Seitz method and APW

Abstract

We calculate the ground state energy of solid metallic hydrogen as a function of r[subscript s], using the Wigner-Seitz method and full potential linearized augmented plane wave (FP-LAPW), and to determine r[subscript s] at which the ground state energy is minimum. The Coulomb, uniform screened Coulomb and Thomas-Fermi screened Coulomb potentials are used in the Wigner-Seitz calculation. We estimate the energy dispersion up to O(k[superscipt4]) and use the most acceptable correlation energy. To refine the Wigner-Seitz method, we employ the FP-LAPW to determine the ground state energy and the density of states as well as the band structures in various lattice structures. We find that, for a high symmetry lattice, both methods give similar results and solid hydrogen in our model is a metal.