We prove the conjectured first order expansion of the Levy−Lieb functional in the semiclassical limit, arising from Density Functional Theory (DFT). In particular, we prove a general asymptotic first order lower bound in terms of the zero point oscillation functional and the corresponding asymptotic upper bound in the case of two electrons in one dimension. This is accomplished by interpreting the problem as the singular perturbation of an Optimal Transport problem via a Dirichlet penalization.

First order expansion in the semiclassical limit of the Levy-Lieb functional / Colombo, M., Di Marino, S., Stra, F.. - In: ARCHIVE FOR RATIONAL MECHANICS AND ANALYSIS. - ISSN 1432-0673. - 249:(2025), pp. 1-57. [10.1007/s00205-025-02143-7]

First order expansion in the semiclassical limit of the Levy-Lieb functional

Stra, F.
2025

Abstract

We prove the conjectured first order expansion of the Levy−Lieb functional in the semiclassical limit, arising from Density Functional Theory (DFT). In particular, we prove a general asymptotic first order lower bound in terms of the zero point oscillation functional and the corresponding asymptotic upper bound in the case of two electrons in one dimension. This is accomplished by interpreting the problem as the singular perturbation of an Optimal Transport problem via a Dirichlet penalization.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11583/3012801