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A Shadow Wave Function (SWF) is employed along with Variational Monte Carlotechniques to describe the ground state properties of solid molecularpara-hydrogen. The study has been extended to densities below the equilibriumvalue, to obtain a parameterization of the SWF useful for the description ofinhomogeneous phases. We also present an estimate of the vacancy formationenergy as a function of the density, and discuss the importance of relaxationeffects near the vacant site

physical review. b, condensed matter and materials physics

Variational Monte Carlo study of the ground-state properties and vacancy formation energy of solid para-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>using a shadow wave function

Variational Monte Carlo study of the ground-state properties and vacancy formation energy of solid para-H2using a shadow wave function