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Springer eBooks

The Quantum Nature of the Electron

Plinio Innocenzi

Published Jan 1, 2025• 0 citations
Publisher
DOI
10.1007/978-3-031-81984-1_3

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Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.