Strictly-correlated Electron Functional and Multimarginal Optimal Transport

Lexing Ying
Stanford University

We introduce methods from convex optimization to solve the multi-marginal transport type problems arise in the context of density functional theory. Convex relaxations are used to provide outer approximation to the set of N-representable 2-marginals and 3-marginals, which in turn provide lower bounds to the energy. We further propose rounding schemes to obtain upper bound to the energy.

Presentation (PDF File)

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