0000000000614211

AUTHOR

Paola Gori-giorgi

showing 2 related works from this author

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

2016

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…

Chemical Physics (physics.chem-ph)PhysicsStrongly Correlated Electrons (cond-mat.str-el)010304 chemical physicsta114FOS: Physical sciencesGeneral Physics and Astronomyformal probertiesElectronHartreeExpression (computer science)01 natural sciencesadiabatic strictly-correlated electronsCondensed Matter - Strongly Correlated ElectronskernelKernel (statistics)Physics - Chemical Physics0103 physical sciencesDensity functional theoryStatistical physicsPhysical and Theoretical ChemistryVariety (universal algebra)010306 general physicsAdiabatic processFocus (optics)
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The strictly-correlated electron functional for spherically symmetric systems revisited

2017

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…

Chemical Physics (physics.chem-ph)[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCondensed Matter - Strongly Correlated ElectronsStrongly Correlated Electrons (cond-mat.str-el)[MATH.MATH-MP]Mathematics [math]/Mathematical Physics [math-ph]Physics - Chemical PhysicsFOS: Physical sciencesMathematical Physics (math-ph)[MATH.MATH-OC]Mathematics [math]/Optimization and Control [math.OC]Mathematical Physics[MATH.MATH-NA]Mathematics [math]/Numerical Analysis [math.NA]
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