The adiabatic strictly-correlated-electrons functional: kernel and exact properties
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.
Keywords
Cite
@article{arxiv.1601.03977,
title = {The adiabatic strictly-correlated-electrons functional: kernel and exact properties},
author = {Giovanna Lani and Simone di Marino and Augusto Gerolin and Robert van Leeuwen and Paola Gori-Giorgi},
journal= {arXiv preprint arXiv:1601.03977},
year = {2016}
}
Comments
submitted to PCCP for the Baerends special issue