Electronic transition dipole moment function of the f' 0+ (1D2) – X1Σ+ transition of ICl

Predissociation Dynamics of Br2 in the [2Π1/2]c5d; 0g+ and [2Π3/2]c6d; 0g+ Rydberg States by Velocity Map Imaging Study

“…Rapid expansion of computational resources in recent years has made it possible to construct an overall picture of the potential energy of relatively small molecules. In particular, high-precision quantum chemical calculations of valence excited states, including ion-pair states of halogen molecules with many electrons, have been extensively performed, and calculation results with an accuracy satisfactorily enough to reproduce experimental data have been reported. , However, quantum chemical calculations for highly excited levels, such as Rydberg states, located in the high-energy region are still challenging. One of the reasons that hinder the development of calculations is the lack of experimental data to be compared with the calculation results.…”