arXiv subjects
Publications and source records attributed to Augusto Gerolin.
We give an example of an absolutely continuous measure $μ$ on $\mathbb R^d$, for any $d \ge 1$, such that no minimizer of the $3$-marginal harmonic repulsive cost with all marginals equal to $μ$ is supported on a graph over the first variable.
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.~Models Methods Appl.~Sci., {\bf 26} 1025 (2016)] have recently shown that these conjectured maps are not always optimal. Here we revisit the whole issue both from the formal and numerical point of view, finding that even if the conjectured maps are not always optimal, they still yield an interaction energy (cost) that is numerically very close to the true minimum. We also prove that the functional built from the conjectured maps has the expected functional derivative also when they are not optimal.
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.
This paper intents to present the state of art and recent developments of the optimal transportation theory with many marginals for a class of repulsive cost functions. We introduce some aspects of the Density Functional Theory (DFT) from a mathematical point of view, and revisit the theory of optimal transport from its perspective. Moreover, in the last three sections, we describe some recent and new theoretical and numerical results obtained for the Coulomb cost, the repulsive harmonic cost and the determinant cost.
We consider the Schrodinger operator a given domain. Our goal is to study some optimization problems where an optimal (non-negative) potential V has to be determined in some suitable admissible classes and for some suitable optimization criteria, like the energy or the Dirichlet eigenvalues.