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I am a physics student and interested in Atom, and molecule optical physics. I am studying Feshbach resonance and I need to know the potential curve of the molecule, then I ask question in physics stack exchange but I could not get any reply.

enter image description here

I saw the above picture on the German Wikipedia of Feshbach resonance. They mentioned the ground state of Lithium diatomic molecule($Li_2$) has this the molecular potential curve in different spin configuration($S=0,S=1$).

However because I am not familiar with the molecular physics and quantum chemistry, I don't understand how I can calculate/simulate them out. If someone can provide me some information, or list the formula(Hamiltonian), I will have some directions of this issue.

Thank you

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  • $\begingroup$ What is 'the lithium molecule'? $\endgroup$
    – isolated matrix
    Commented Nov 14, 2023 at 11:37
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    $\begingroup$ @isolatedmatrix diatomic molecule of Lithium $\endgroup$
    – Hsu Bill
    Commented Nov 14, 2023 at 11:48
  • $\begingroup$ The LI$_2$ molecule has been well studied, the potential energy curves should be in this reference, I. Schmidt-Mink, W. Muller, and W. Meyer, Chem. Phys. 92, 263 (1985). $\endgroup$
    – porphyrin
    Commented Nov 14, 2023 at 20:56
  • $\begingroup$ @porphyrin Thanks for the information. $\endgroup$
    – Hsu Bill
    Commented Nov 14, 2023 at 23:22

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