Literature DB >> 32103864

Infinite-body optimal transport with Coulomb cost.

Codina Cotar1, Gero Friesecke2, Brendan Pass3.   

Abstract

We introduce and analyze symmetric infinite-body optimal transport (OT) problems with cost function of pair potential form. We show that for a natural class of such costs, the optimizer is given by the independent product measure all of whose factors are given by the one-body marginal. This is in striking contrast to standard finite-body OT problems, in which the optimizers are typically highly correlated, as well as to infinite-body OT problems with Gangbo-Swiech cost. Moreover, by adapting a construction from the study of exchangeable processes in probability theory, we prove that the corresponding N -body OT problem is well approximated by the infinite-body problem. To our class belongs the Coulomb cost which arises in many-electron quantum mechanics. The optimal cost of the Coulombic N-body OT problem as a function of the one-body marginal density is known in the physics and quantum chemistry literature under the name SCE functional, and arises naturally as the semiclassical limit of the celebrated Hohenberg-Kohn functional. Our results imply that in the inhomogeneous high-density limit (i.e. N → ∞ with arbitrary fixed inhomogeneity profile ρ / N ), the SCE functional converges to the mean field functional. We also present reformulations of the infinite-body and N-body OT problems as two-body OT problems with representability constraints.
© The Author(s) 2014.

Entities:  

Keywords:  Coulomb cost; Density functional theory; Exchange-correlation functional; Finite exchangeability; Hohenberg-Kohn functional; Infinite-body optimal transport; N-body optimal transport; N-extendability; N-representability; de Finetti’s Theorem

Year:  2014        PMID: 32103864      PMCID: PMC7010387          DOI: 10.1007/s00526-014-0803-0

Source DB:  PubMed          Journal:  Calc Var Partial Differ Equ        ISSN: 0944-2669            Impact factor:   1.945


  2 in total

1.  Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem.

Authors:  M Levy
Journal:  Proc Natl Acad Sci U S A       Date:  1979-12       Impact factor: 11.205

2.  N-density representability and the optimal transport limit of the Hohenberg-Kohn functional.

Authors:  Gero Friesecke; Christian B Mendl; Brendan Pass; Codina Cotar; Claudia Klüppelberg
Journal:  J Chem Phys       Date:  2013-10-28       Impact factor: 3.488

  2 in total

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