Identity for the second functional derivative of the density functional Hartree plus exchange-correlation functional

2011/08/25 by Daniel P. Joubert, Joubert, Daniel P.
Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography

paper · pdf · doi:10.48550/arxiv.1108.5072

openalex publication_date 2011/08/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

It is shown that the integral of the product of the charge density difference of the N- and (N-1)-electron densities of the same Hamiltonian and the second functional derivative of the Hartree plus exchange-correlation functional of the N-electron density is equal to a constant.

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