A Regularized Second-Order Correlation Method from Green’s Function Theory

We present a scalable single-particle framework to treat electronic correlation in molecules and materials motivated by Green’s function theory. We derive a size-extensive Brillouin-Wigner perturbation theory from the single-particle Green’s function by introducing the Goldstone self-energy. This ne...

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Veröffentlicht in:	Journal of chemical theory and computation 2023-07, Vol.19 (13), p.3915-3928
Hauptverfasser:	Coveney, Christopher J. N., Tew, David P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Correlation Elementary excitations Green's functions Ground state Perturbation theory Quantum Electronic Structure Regularization
Online-Zugang:	Volltext
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