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Comment on “Density functional theory is straying from the path toward the exact functional”

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Science  05 May 2017:
Vol. 356, Issue 6337, pp. 496
DOI: 10.1126/science.aam9364
  • Fig. 1 Paths of accuracy.

    (A) Nonrelativistic and (B) relativistic errors in computed ionic energy differences versus experimental values, in eV (Eq. 1) (see Data S1 for computed energies in atomic units and conversion to errors in eV in rows shaded red). (C) Errors in densities of larger ions versus errors in computed energies (see Data S2 for numerical data).

  • Comment on "Density functional theory is straying from the path toward the exact functional"

    Kasper P. Kepp

    Materials/Methods, Supplementary Text, Tables, Figures, and/or References

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    • Data S1 and S2 (as Excel files)
    Data S1
    Data S2

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