Table 5 Log-evidences \({E}_{\mathrm{12,}R}\) (\({E}_{p,R}\)) for \({B}_{\mathrm{12,}R}\) (\({B}_{p,R}\)).

From: Data driven inference for the repulsive exponent of the Lennard-Jones potential in molecular dynamics simulations

 

\({{\boldsymbol{E}}}_{{\bf{12}},{\boldsymbol{R}}}\)

\({{\boldsymbol{E}}}_{{\boldsymbol{p}},{\boldsymbol{R}}}\)

\({{\boldsymbol{e}}}^{{{\boldsymbol{E}}}_{{\boldsymbol{p}},{\boldsymbol{R}}}{\boldsymbol{-}}{{\boldsymbol{E}}}_{{\bf{12}},{\boldsymbol{R}}}}\)

\({L}_{1}\)

−7.05

\({L}_{2}\)

−14.8

\({L}_{3}\)

−9.72

2.81

2.74 × 105

\({L}_{4}\)

5.10

5.18

1.09

\({L}_{5}\)

−15.8

−8.76

1.18 × 103

\(V\)

−3.83

−4.94

3.31 × 10−1