Partition Functions from spectroscopic constants

RADIS can calculate equilibrium and non-LTE Partition Functions from a given set of spectroscopic constants using a Dunham expansion.

Calculations use the the PartFunc_Dunham class

Default spectroscopic constants and spectroscopic models used are given in default spectroscopic constants. You can also use your own set of spectroscopic constants.

See Also


from radis.db.molecules import Molecules
from radis.levels.partfunc import PartFunc_Dunham

isotope = 1
electronic_state = "X"
S = Molecules["CO"][isotope][electronic_state]

# Equilibrium partition functions :
Qf = PartFunc_Dunham(S)
print(  # K

# Nonequilibrium partition functions :
print(Qf.at_noneq(Tvib=2000, Trot=1000))  # K

Total running time of the script: ( 0 minutes 0.000 seconds)

Gallery generated by Sphinx-Gallery