The He–H3+ complex. I. Vibration-rotation-tunneling states and transition probabilities

With a He–H3+ interaction potential obtained from advanced electronic structure calculations, we computed the vibration-rotation-tunneling (VRT) states of this complex for total angular momenta J from 0 to 9, both for the vibrational ground state and for the twofold degenerate v2 = 1 excited state o...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The Journal of chemical physics 2022-04, Vol.156 (14), p.144307-144307
Hauptverfasser:	Harding, Michael E., Lipparini, Filippo, Gauss, Jürgen, Gerlich, Dieter, Schlemmer, Stephan, van der Avoird, Ad
Format:	Artikel
Sprache:	eng
Schlagworte:	Electronic structure Energy levels Ground state Mathematical analysis Rotation Rotational states Rotors Saddle points Spectra Transition probabilities Vibration Wave functions
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!