Universal relationships of spectroscopic constants for diatomic molecules

The systematic study of spectroscopic constants in diatomic molecules has been of interest in the atomic, molecular, and optical physics community since the birth of quantum chemistry. However, such a task has never been undertaken within the paradigm of artificial intelligence. Here, we present a study from a data science perspective, based on machine learning techniques, to elucidate the inherent relationship among the principal spectroscopic constants for diatomic molecules. As a result, it is possible to predict the principal spectroscopic constants of a molecule by looking at the simple atomic properties of the parent atoms.