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arXiv · 1601.03977

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

Giovanna Lani·Simone di Marino·Augusto Gerolin·Robert van Leeuwen·Paola Gori-Giorgi
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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.

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Giovanna Lani, Simone di Marino, Augusto Gerolin, Robert van Leeuwen, Paola Gori-Giorgi. 2016-01-15. The adiabatic strictly-correlated-electrons functional: kernel and exact properties. https://doi.org/10.1039/c6cp00339g

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