“Exact” hartree‐fock results for atomic hydrogen crystals

A method which makes no approximations as to the exchange energy is used to calculate Hartree–Fock wave functions and energies for atomic hydrogen crystals of simple cubic, body‐centered cubic, and face–centered cubic symmetries. For all three crystal symmetries the Fermi surface is found to be essentially spherical, but the wave functions are locally very atom‐like. Equilibrium nearest‐neighbor distances are in reasonable agreement with those obtained by previous investigators.