0000000000451905
AUTHOR
Augusto Gerolin
The adiabatic strictly-correlated-electrons functional : kernel and exact properties
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 p…
The strictly-correlated electron functional for spherically symmetric systems revisited
The strong-interaction limit of the Hohenberg-Kohn functional defines a multimarginal optimal transport problem with Coulomb cost. From physical arguments, the solution of this limit is expected to yield strictly-correlated particle positions, related to each other by co-motion functions (or optimal maps), but the existence of such a deterministic solution in the general three-dimensional case is still an open question. A conjecture for the co-motion functions for radially symmetric densities was presented in Phys.~Rev.~A {\bf 75}, 042511 (2007), and later used to build approximate exchange-correlation functionals for electrons confined in low-density quantum dots. Colombo and Stra [Math.~M…
Multi-marginal entropy-transport with repulsive cost
In this paper we study theoretical properties of the entropy-transport functional with repulsive cost functions. We provide sufficient conditions for the existence of a minimizer in a class of metric spaces and prove the $\Gamma$-convergence of the entropy-transport functional to a multi-marginal optimal transport problem with a repulsive cost. We also prove the entropy-regularized version of the Kantorovich duality.
Duality theory for multi-marginal optimal transport with repulsive costs in metric spaces
In this paper we extend the duality theory of the multi-marginal optimal transport problem for cost functions depending on a decreasing function of the distance (not necessarily bounded). This class of cost functions appears in the context of SCE Density Functional Theory introduced in "Strong-interaction limit of density-functional theory" by M. Seidl.