Upper Estimates for Electronic Density in Heavy Atoms and Molecules

2019/06/03 by Ivrii, Victor
#FOS: Mathematics #FOS: Physical sciences #Mathematical Physics (math-ph) #Spectral Theory (math.SP)

paper · doi:10.48550/arxiv.1906.00611

Abstract

We derive an upper estimate for electronic density ρ_Ψ(x) in heavy atoms and molecules. While not sharp, on the distances \gtrsim Z^-1 from the nuclei it is still better than the known estimate CZ³ (Z is the total charge of the nuclei, Z\asymp N the total number of electrons).

Related

• Thomas-Fermi approximation to electronic density
• A Statistical Theory of Heavy Atoms: Energy and Excess Charge
• Strong Scott Conjecture
• A new proof of the analyticity of the electronic density of molecules
• Revisiting the Z-dependence of the electron density at the nuclei