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Hyperfine structure of alkali-metal diatomic molecules.

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We present calculations of the hyperfine coupling constants for all the heteronuclear alkali-metal diatomic molecules at the equilibrium geometry of the electronic ground state. These constants are important in developing… Click to show full abstract

We present calculations of the hyperfine coupling constants for all the heteronuclear alkali-metal diatomic molecules at the equilibrium geometry of the electronic ground state. These constants are important in developing methods to control ultracold polar molecules. The results are based on electronic structure calculations using density-functional theory, and are in good agreement with experiment for the limited set of molecules for which experiments are so far available.

Keywords: alkali metal; metal diatomic; hyperfine structure; diatomic molecules; structure alkali

Journal Title: Physical Review A
Year Published: 2017

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