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Survey of classical density functionals for modelling hydrogen physisorption at 77 K

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Academic year: 2019

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Figure

FIG. 1. Comparison of the normalized total site-site intramo-
FIG. 2. �length and density arethe ORA resultis shown on a logarithmic scale.circles are exact quantum results, while the solid line is the exactclassical result
FIG. 3. PI-GCMC results using the algorithm described in the
TABLE II. Effective Lennard-Jones parameters used in this
+3

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