Re-examination of the Cs2 ground singlet X 1 Σ g + and triplet a 3 Σ u + states

• Published in: The Journal of chemical physics 2017-09, Vol.147 (10)
• Main Authors: Sovkov, Vladimir B., Xie, Feng, Lyyra, A. Marjatta, Ahmed, Ergin H., Ma, Jie, Jia, Suotang
• Format: Article
• Language: English
• ISSN: 0021-9606; 1089-7690
• DOI: 10.1063/1.5001481

This paper clarifies the disagreement in the depth of the potential energy curve of the cesium dimer singlet ground state which has lasted for nearly a decade. We point out that the origin of this disagreement must be a technical misprint in the values of the three binding energies reported by Danzl et al. [Science 321, 1062 (2008)], while the X 1 Σ g + state potential reported by Coxon and Hajigeorgiou [J. Chem. Phys. 132, 094105 (2010)], based on experimental data by Amiot and Dulieu [J. Chem. Phys. 117, 5155 (2002)], is quite correct. We have recalculated the potential energy function of the triplet ground state a 3 Σ u + by using the available experimental data spanning both the attractive and the repulsive branches so that the potential energy function complies asymptotically with the singlet ground state X 1 Σ g + potential energy function by Coxon and Hajigeorgiou. This is important for the simulation of the near dissociation properties such as Feshbach resonances, which are typically observed in modern experiments with ultracold atoms and molecules.