Abstract

In this paper, a different calculation of the ${S}_{0}(0)$ Raman triplet structure in solid parahydrogen up to pressures of about $80\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$ and at $T=0\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ is presented. An anisotropic intermolecular potential is used that contains both two- and three-body components. The anisotropic potential is treated up to second order in a perturbative expansion. A noticeable improvement is observed in the comparison of numerical and experimental results with respect to all previous attempts. A possible explanation of remaining discrepancies is given that considers the appearance of antibonding states in each molecule due to electronic exchange effects with the other molecules of the crystal.

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