Gradient Expansions for the Large-Coupling Strength Limit of the Møller–Plesset Adiabatic Connection

The adiabatic connection that has, as weak-interaction expansion, the Møller–Plesset perturbation series has been recently shown to have a large coupling-strength expansion, in terms of functionals of the Hartree–Fock density with a clear physical meaning. In this work, we accurately evaluate these...

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Veröffentlicht in:	Journal of chemical theory and computation 2022-03, Vol.18 (3), p.1584-1594
Hauptverfasser:	Daas, Kimberly J., Kooi, Derk P., Grooteman, Arthur J. A. F., Seidl, Michael, Gori-Giorgi, Paola
Format:	Artikel
Sprache:	eng
Schlagworte:	Adiabatic flow Atomic properties Coupling Neutral atoms Perturbation Quantum Electronic Structure
Online-Zugang:	Volltext
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