Theoretical study on the low-lying excited electronic states and laser cooling feasibility of CuH molecule.

To evaluate the feasibility of the laser cooling of CuH molecule, we investigate the electronic properties, the vibrational and rotational characteristics of the molecule based on the multi-reference configuration interaction method with all-electron basis sets. The potential energy curves (PECs) of XΣ, AΣ, BΣ, aΣ, bΣ, eΣ, CП, DП, cП and dП states and the transition dipole moments between these states are calculated. The Schrödinger equation of nuclear movement is solved for each electronic state to obtain the rotational and vibration energy levels.