Ground State of Solid Neon

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Abstract
A variational calculation of the curve of ground-state energy versus density for solid neon is presented using a two-parameter wave function which takes correlations between pairs of atoms into account. A Monte Carlo method is used for the computation of the energy expectation value, the ground-state pressure, and the single-particle distribution function. The Lennard-Jones interatomic potential is assumed throughout, and various potential parameter values are discussed. If carefully determined experimental parameters are used, a pressure-versus-density curve is obtained which is in good agreement with experiment.