Evaluation of two-particle properties within finite-temperature self-consistent one-particle Green’s function methods: Theory and application to GW and GF2

One-particle Green’s function methods can model molecular and solid spectra at zero or non-zero temperatures. One-particle Green’s functions directly provide electronic energies and one-particle properties, such as dipole moment. However, the evaluation of two-particle properties, such as ⟨S2⟩ and ⟨...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The Journal of chemical physics 2021-07, Vol.155 (2), p.024119-024119
Hauptverfasser:	Pokhilko, Pavel, Iskakov, Sergei, Yeh, Chia-Nan, Zgid, Dominika
Format:	Artikel
Sprache:	eng
Schlagworte:	Bethe-Salpeter equation Dipole moments Electron density Particle density (concentration) Temperature dependence
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!