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Q: How can calculate length or coordinate of any molecule in different quntum state [like (rotational quantum state)j=2] with any software or code?

Rubi AgrawalHow can one determine the bond length of a diatomic or tri-atomic molecule(rot. state J=3 and vib. state v=2) from its ground state bond length (x angstrom) using computational tools or programming code?

vasp molecular-dynamics molecular-modeling python atomic-simulation-environment
 

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