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Klaudia Bączek

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Year 2022

Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
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- MOLECULAR PHYSICS - Year 2022
The article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...

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