Electron correlation and relativistic effects in the excited states of radium monofluoride.

ABSTRACT: Highly accurate and precise electronic structure calculations of heavy radioactive atoms and their molecules are important for several research areas, including chemical, nuclear, and particle physics. Ab initio quantum chemistry can elucidate structural details in these systems that emerge from the interplay of relativistic and electron correlation effects, but the large number of electrons complicates the calculations, and the scarcity of experiments prevents insightful theory-experiment comparisons. Here we report the spectroscopy of the 14 lowest excited electronic states in the radioactive molecule radium monofluoride (RaF), which is proposed as a sensitive probe for searches of new physics. The observed excitation energies are compared with state-of-the-art relativistic Fock-space co

SUBMITTER: Athanasakis-Kaklamanakis M 

PROVIDER: S-EPMC11876649 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature