Theoretical examination of QED Hamiltonian in relativistic molecular orbital theory

Theoretical discussions are given on issues in relativistic molecular orbital theory to which the quantum electrodynamics (QED) Hamiltonian is applied. First, several QED Hamiltonians previously proposed are sifted by the orbital rotation invariance, the charge conjugation and time reversal invarian...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	The Journal of chemical physics 2023-08, Vol.159 (5)
Hauptverfasser:	Inoue, Nobuki, Watanabe, Yoshihiro, Nakano, Haruyuki
Format:	Artikel
Sprache:	eng
Schlagworte:	Configuration interaction Conjugation Correlation Correlation analysis Divergence Electrons Energy Invariance Molecular orbitals Numerical methods Perturbation methods Positrons Quantum electrodynamics Relativistic effects Relativistic theory Rotation
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!