Pair Densities in Density Functional Theory

DOI10.1137/15M1014024zbMath1328.35189arXiv1503.07539OpenAlexW2962961164MaRDI QIDQ3459655

Huajie Chen, Gero Friesecke

Publication date: 11 January 2016

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1503.07539

zbMATH Keywords

asymptoticsdensity functional theorypair densitydensity-to-pair-density map

Mathematics Subject Classification ID

Strong interaction, including quantum chromodynamics (81V05) PDEs in connection with quantum mechanics (35Q40) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Numerical methods for mathematical programming, optimization and variational techniques (65K99)

Related Items (7)

Universal diagonal estimates for minimizers of the Levy-Lieb functional ⋮ A Global Optimization Approach for Multimarginal Optimal Transport Problems with Coulomb Cost ⋮ A finite element configuration interaction method for Wigner localization ⋮ Smoothing of transport plans with fixed marginals and rigorous semiclassical limit of the Hohenberg-Kohn functional ⋮ Hohenberg-Kohn theorems for interactions, spin and temperature ⋮ New Optimal Control Problems in Density Functional Theory Motivated by Photovoltaics ⋮ Dissociation limit in Kohn-Sham density functional theory

Cites Work

• Symmetric Monge-Kantorovich problems and polar decompositions of vector fields
• Pair correlations and exchange phenomena in the free electron gas
• The geometry of optimal transportation
• Polar factorization and monotone rearrangement of vector‐valued functions
• Optimal maps for the multidimensional Monge-Kantorovich problem
• Density Functional Theory and Optimal Transportation with Coulomb Cost
• Multimarginal Optimal Transport Maps for One–dimensional Repulsive Costs
• Optimal Transport

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