期刊
PHYSICAL REVIEW A
卷 104, 期 4, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.104.042816
关键词
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资金
- National Science Centre of Poland [2016/23/B/ST4/03231]
- Foundation for Polish Science within the First Team program - European Union under the European Regional Development Fund
- PL-Grid Infrastructure
Alkaline-earth-like transition-metal atoms such as Zn and Cd are studied theoretically in diatomic molecules, which are shown to be chemically reactive weakly bound van der Waals complexes with small permanent electric dipole moments in the ground electronic state. These results may have implications for the spectroscopy and application of these molecules in modern ultracold physics and chemistry experiments.
Alkaline-earth-like transition-metal atoms such as Zn and Cd are promising candidates for precision measurements and quantum many-body physics experiments. Here, we theoretically investigate the properties of diatomic molecules containing these closed-shell atoms. We calculate potential-energy curves, permanent electric dipole moments, and spectroscopic constants for molecules consisting of either a Zn or Cd atom interacting with an alkali-metal (Li, Na, K, Rb, Cs, Fr) or alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atom. We use the ab initio electronic-structure coupled-cluster method with single, double, and triple excitations combined with large Gaussian basis sets and small-core relativistic energy-consistent pseudopotentials for heavier atoms. We predict that the studied molecules in the ground electronic state are chemically reactive weakly bound van der Waals complexes with small permanent electric dipole moments. The present results may be useful for spectroscopy and application of the studied molecules in modern ultracold physics and chemistry experiments.
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