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Diffusion Monte Carlo study of the equation of state of solid ortho-D$_2$

Francesco Operetto·Francesco Pederiva
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Abstract

We present results of Diffusion Monte Carlo calculations for a system of solid ortho-D_2 at different densities, for pressure ranging from 0 up to 350MPa. We compare the equation of state obtained using two of the most used effective intermolecular potentials, i.e. the Silvera--Goldman and the Buck potentials, with experimental data, in order to assess the validity of the model interactions. The Silvera-Goldman potential has been found to provide a satisfactory agreement with experimental results, showing that, as opposed to what recently found for p-H_2, three--body forces can be efficiently accounted for by an effective two--body term.

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Francesco Operetto, Francesco Pederiva. 2006-12-12. Diffusion Monte Carlo study of the equation of state of solid ortho-D$_2$. https://doi.org/10.1103/physrevb.73.184124

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