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A simple comparison between the exact and approximate correlation componentsU of the electron-electron repulsion energy of several states of few-electronharmonium atoms with varying confinement strengths provides a superiorvalidation tool for 1-matrix functionals. The robustness of this tool isclearly demonstrated in a survey of 14 known functionals, which reveals theirsubstandard performance within different electron correlation regimes. Unlikespot-testing that employs dissociation curves of diatomic molecules or moreextensive benchmarking against experimental atomization energies of moleculescomprising one of standard sets, the present approach not only uncovers theflaws and patent failures of the functionals but, even more importantly, allowsfor pinpointing their root causes. Since the approximate values of U arecomputed at exact 1-densities, the testing requires minimal programming, andthus is particularly useful in quick screening of new functionals.

Robust Validation Of Approximate 1-Matrix Functionals With Few-Electron Harmonium Atoms