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The adiabatic strictly-correlated-electrons functional: kernel and exact properties
Giovanna Lani,Simone Di Marino,Augusto Gerolin,Paola Gori-Giorgi
Physical Chemistry Chemical Physics Pub Date : 03/01/2016 00:00:00 , DOI:10.1039/C6CP00339G
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.

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