Upper Estimates for Electronic Density in Heavy Atoms and Molecules

preprint2020arXivOpen access

Abstract

We derive an upper estimate for electronic density ρΨ(x)ρ_Ψ(x) in heavy atoms and molecules. While not sharp, on the distances ≳Z−1\gtrsim Z^{-1} from the nuclei it is still better than the known estimate CZ3CZ^3 (ZZ is the total charge of the nuclei, Z≍NZ\asymp N the total number of electrons).

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