Modeling optical formation of ultracold NaK2 ground-state molecules

Authored by

Baraa Shammout, Leon Karpa, Silke Ospelkaus, Eberhard Tiemann, Olivier Dulieu

Abstract

We study the rovibronic transitions in NaK2 between its electronic ground state 12A′ and its second excited state 32A′, to identify possible pathways for the creation of ultracold ground-state triatomic molecules. Our methodology relies on the computation of potential energy surfaces and transition dipole moment surfaces for the relevant electronic states using ab initio methods. Rovibrational energy levels and wave functions are determined using the discrete variable representation approach. A double-well structure of the potential energy surface is identified for both states, and the related transition strengths between the rovibrational levels are derived. Our calculations show that the formation of ultracold ground-state NaK2 molecules is expected when starting from an excited electronic state of NaK2, which can be created by photoassociation of NaK and K, as observed by optical means by Cao, et al. [Phys. Rev. Lett.132, 093403 (2026) 0031-9007 10.1103/PhysRevLett.132.093403].

Details

Organisation(s)
Institute of Quantum Optics
External Organisation(s)
Centre national de la recherche scientifique (CNRS)
Type
Article
Journal
Physical Review Research
Volume
8
ISSN
2643-1564
Publication date
14.01.2026
Publication status
Published
Peer reviewed
Yes
ASJC Scopus subject areas
General Physics and Astronomy
Electronic version(s)
https://doi.org/10.1103/y7gm-1w9c (Access: Open )

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