I already know about the mathematical formula for electronegativity, but it requires the ionization potential and electron affinity. How can I can easily calculate the ionization potential and electron affinity with a mathematical formula?

  • 7
    $\begingroup$ You can't.$\mathstrut$ $\endgroup$ Oct 17, 2017 at 16:46
  • 4
    $\begingroup$ Technically, you could solve the multi-electron Schrodinger equation and compute the energy difference, but I believe that is an intractable problem without at least severe approximations. $\endgroup$
    – Zhe
    Oct 17, 2017 at 17:01
  • 2
    $\begingroup$ @Zhe one such severe approximation is to solve the Schrodinger equation using the Hartree Fock approximation, then assume frozen orbitals for the ionization process. en.wikipedia.org/wiki/Koopmans'_theorem $\endgroup$
    – Tyberius
    Oct 17, 2017 at 17:07


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