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physics.chem-ph2015★ 2 cited
Pair densities in density functional theory
Huajie Chen, Gero Friesecke
The exact interaction energy of a many-electron system is determined by the electron pair density, which is not well-approximated in standard Kohn-Sham density functional models. H…
physics.chem-ph2014★ 34 cited
Numerical methods for a Kohn-Sham density functional model based on optimal transport
Huajie Chen, Gero Friesecke, Christian B. Mendl
In this paper, we study numerical discretizations to solve density functional models in the "strictly correlated electrons" (SCE) framework. Unlike previous studies our work is not…