Calculus of Variations and Geometric Measure Theory

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

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

created by gerolin on 04 May 2018
modified on 19 Jul 2019


Published Paper

Inserted: 4 may 2018
Last Updated: 19 jul 2019

Journal: Physical Chemistry Chemical Physics
Year: 2016

ArXiv: 1601.03977 PDF


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.