Calculate Rovibrational EnergiesΒΆ

RADIS can simply be used to calculate the rovibrational energies of molecules, using the built-in spectroscopic constants (or your own!). See the getMolecule() function, and the Molecules list containing all ElectronicState objects.

from radis import getMolecule

# Here we get the energy of the v=6, J=3 level of the 2nd isotope of CO:

CO = getMolecule("CO", 2, "X")
print(CO.Erovib(6, 3))

# Here we get the energy of the asymmetric mode of CO2::

CO2 = getMolecule("CO2", 1, "X")
print(CO2.Erovib(0, 0, 0, 1, 0))