2016/07/31 by Bikashkali Midya, Michał Tomza, Richard Schmidt +1 · 32 citations
Chemistry · Physics and Astronomy · #Ab initio #Ab initio quantum chemistry methods #Atomic and Subatomic Physics Research #Atomic physics #Bose–Einstein condensate #Chemistry #Cold Atom Physics and Bose-Einstein Condensates #Condensed matter physics #Ion #Molecular physics #Molecule #Physics #Polaron #Quantum mechanics #Quantum, superfluid, helium dynamics #Rotation (mathematics) #Rubidium #Strontium #cond-mat.quant-gas #physics.atom-ph #physics.chem-ph
paper · pdf · doi:10.1103/physreva.94.041601
published in Physical Review A 94(4) (American Physical Society) · Final version
arxiv created 2016/10/13 · openalex publication_date 2016/10/13 · arxiv updated 2017/07/03 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We use recently developed angulon theory [R. Schmidt and M. Lemeshko, Phys. Rev. Lett. 114, 203001 (2015)] to study the rotational spectrum of a cyanide molecular anion immersed into Bose-Einstein condensates of rubidium and strontium. Based on ab initio potential energy surfaces, we provide a detailed study of the rotational Lamb shift and many-body-induced fine structure which arise due to dressing of molecular rotation by a field of phonon excitations. We demonstrate that the magnitude of these effects is large enough in order to be observed in modern experiments on cold molecular ions. Furthermore, we introduce a novel method to construct pseudopotentials starting from the ab initio potential energy surfaces, which provides a means to obtain effective coupling constants for low-energy polaron models.