Concepedia

The Electron Affinity as the Highest Occupied Anion Orbital Energy with a Sufficiently Accurate Approximation of the Exact Kohn–Sham Potential

Mario Amati, Sonia Stoia, Evert Jan Baerends

Journal of Chemical Theory and Computation · 2019 · 47 citations · 80 references

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Concepts

Abstract

, 204114] to the exact KS potential affords stable negative ions with HOMO orbital energy close to minus the electron affinity.

References

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