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. 2017 Jun 5;8(13):2799–2805. doi: 10.1021/acs.jpclett.7b01113

Figure 3.

Figure 3

Energy densities at full coupling strength as a function of the distance from the bond midpoint z along the internuclear axis for the H2 molecule at different bond-lengths Lb obtained with MRF-1 using accurate FCI/aug-cc-pCVTZ densities. Reference energy densities and those obtained with the LB local interpolation scheme are from ref (14).