Natural occupation numbers in two-electron quantum rings

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 ex...

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Veröffentlicht in:	The Journal of chemical physics 2016-02, Vol.144 (5), p.054108-054108
Hauptverfasser:	Tognetti, Vincent, Loos, Pierre-François
Format:	Artikel
Sprache:	eng
Schlagworte:	APPROXIMATIONS ATOMIC AND MOLECULAR PHYSICS ATOMS Chemical Sciences DENSITY FUNCTIONAL METHOD Density functional theory ELECTRON CORRELATION ELECTRONS FUNCTIONALS MOLECULES NANOSTRUCTURES Occupations Physics RINGS
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