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Ab initio calculations of the XI molecules (X = Li, Na, K, Rb) with the ionicity and laser cooling analysis

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For the alkali iodide molecules LiI, NaI, KI, and RbI, ab initio CASSCF/(MRCI+Q) calculations have been employed to investigate the adiabatic potential energy curves and the static dipole moment cu... Click to show full abstract

For the alkali iodide molecules LiI, NaI, KI, and RbI, ab initio CASSCF/(MRCI+Q) calculations have been employed to investigate the adiabatic potential energy curves and the static dipole moment cu...

Keywords: calculations molecules; molecules ionicity; laser cooling; cooling analysis; initio calculations; ionicity laser

Journal Title: Canadian Journal of Physics
Year Published: 2020

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