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We employed a fully optimized Shadow Wave Function (SWF) in combination withVariational Monte Carlo techniques to investigate the properties of HDmolecules and molecular ortho-deuterium (o-D_2) in bulk solid para-hydrogen(p-H_2). Calculations were performed for different concentrations of impuritiesranging from about 1% to 25% at the equilibrium density for the para-hydrogencrystal. By computing the excess energy both for clustered and isolatedimpurities we tried to determine a limit for the solubility of HD and o-D_2 inp-H_2.Comment: 4 pages, 4 figure

physical review. b, condensed matter and materials physics

Distortion effects and clustering of isotopic impurities in solid molecular<i>para</i>-hydrogen from variational Monte Carlo simulations with shadow wave functions

Distortion effects and clustering of isotopic impurities in solid molecularpara-hydrogen from variational Monte Carlo simulations with shadow wave functions