The adiabatic strictly-correlated electron functional: kernel and exact properties

G. Lani, S. Di Marino, A. Gerolin, R. van Leeuwen, P. Gori-Giorgi

Research output: Contribution to JournalArticle

Abstract

We investigate a number of formal properties of the adiabatic strictly-correlated electrons (SCE) functional, relevant for time-dependent potentials and for kernels in linear response time-dependent density functional theory. Among the former, we focus on the compliance to constraints of exact many-body theories, such as the generalised translational invariance and the zero-force theorem. Within the latter, we derive an analytical expression for the adiabatic SCE Hartree exchange–correlation kernel in one dimensional systems, and we compute it numerically for a variety of model densities. We analyse the non-local features of this kernel, particularly the ones that are relevant in tackling problems where kernels derived from local or semi-local functionals are known to fail.
Original languageEnglish
Pages (from-to)21092-21101
Number of pages10
JournalPhysical Chemistry Chemical Physics - PCCP
Volume18
DOIs
Publication statusPublished - 1 Mar 2016

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