Bulletin of the American Physical Society
54th Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics
Volume 68, Number 7
Monday–Friday, June 5–9, 2023; Spokane, Washington
Session Q07: Cold and Ultracold Molecules II
8:00 AM–10:00 AM,
Thursday, June 8, 2023
Room: 206 B
Chair: David Hvizdos, Purdue University
Abstract: Q07.00010 : Diatomic molecules of alkali-metal and alkaline-earth metal atoms: interaction potentials, dipole moments, and polarizabilities*
9:48 AM–10:00 AM
Presenter:
Hela Ladjimi
(University of Warsaw, Faculty of Physics)
Authors:
Hela Ladjimi
(University of Warsaw, Faculty of Physics)
Michal Tomza
(University of Warsaw)
In an extensive and comparative study, we theoretically investigate the electronic properties of ground-state diatomic molecules composed of alkali-metal (Li, Na, K, Rb, Cs, Fr) and alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atoms. We study 78 hetero- and homonuclear diatomic combinations, including 21 alkali-metal molecules in the X1Σ+ and a3Σ+ electronic states, 36 alkali-metal–alkaline-earth-metal molecules in the X2Σ+ electronic state, and 21 alkaline-earth-metal molecules in the X1Σ+ electronic state. We calculate potential energy curves, permanent electric dipole moments, and polarizabilities using the CCSD(T), CCSDT, and also CCSDTQ coupled cluster methods with large Gaussian basis sets and small-core relativistic-energy-consistent pseudopotentials. We collect and analyze corresponding spectroscopic constants. We review previous experimental and theoretical data and compare them with the present values to establish a new theoretical benchmark. The obtained results should be useful for further application of the studied molecules in modern ultracold physics and chemistry experiments.
*Financial support from the National Science Centre Poland (Grant No. 2020/38/E/ST2/00564).
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