2014/02/04 by Piotr S. Żuchowski, R. Guérout, Romain Guerout +1 · 1 citation
Chemistry · Physics and Astronomy · #Astronomy #Atomic physics #Chemistry #Cold Atom Physics and Bose-Einstein Condensates #Condensed matter physics #Excited state #Ground state #Molecule #Paramagnetism #Physics #Polar #Quantum and electron transport phenomena #Strong Light-Matter Interactions #physics.atm-clus #physics.chem-ph
paper · pdf · doi:10.1103/physreva.90.012507
published as Phys. Rev. A 90, 012507 (2014) · 12 pages, 8 figures
arxiv created 2014/02/04 · openalex publication_date 2014/07/09 · arxiv updated 2014/07/16 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
This paper deals with the electronic structure of RbSr, a molecule possessing both a magnetic dipole moment and an electric dipole moment in its own frame, allowing its manipulation with external fields. Two complementary ab initio approaches are used for the ground and lowest excited states: first, an approach relying on optimized effective core potentials with core polarization potentials based on a full configuration interaction involving three valence electrons and second, an approach using a small-size effective core potential with 19 correlated electrons in the framework of coupled-cluster theory. We have found excellent agreement between these two approaches for the ground-state properties including the permanent dipole moment. We have focused on studies of excited states correlated to the two lowest asymptotes Rb(5p\phantom\rule0.16em0ex2P)+Sr(5s2\phantom\rule0.16em0ex1S) and Rb(5s\phantom\rule0.16em0ex2S)+Sr(5s5p\phantom\rule0.16em0ex3P) relevant for ongoing experiments on ultracold quantum degenerate gases. We also present approximate potential curves including spin-orbit interaction based on atomic spin-orbit constants. These potential curves are an excellent starting point for experimental studies of molecular structure of RbSr using high-resolution spectroscopy.