Correcting Rydberg excitations in argon clusters: From trimer to excimer localisation
Abstract
The effect of diabatisation is reported in the excited argon clusters using the Diatomic-In-Molecules (DIM) method. In a previous study using DIM, the lowest energy isomers of Ar N ∗ were shown as Ar 3 ∗ − Ar N − 3 , however, using the Hole-Particle Pseudopotential (HPP) method, it was shown that the lowest triplet excitation is localised over the dimer not trimer; Ar 2 ∗ − Ar N − 2 . In this study we improve the DIM calculations by including previously ignored strongly avoided crossing between 3p4s and 3p4p 1 , 3 Σ states.
Fields of Study & Subjects
Inorganic Fluorides and Related Compounds
Advanced Chemical Physics Studies
Cold Atom Physics and Bose-Einstein Condensates
Publication details
- Journal / source
- Chemical Physics Letters
- Publisher
- Elsevier BV
- Volume
- 894
- Pages
- 142825–142825
- Publication date
- 22 April 2026
- Language
- EN