radis.levels.energies_co2 module¶
Functions specific to the calculation of CO2 energy levels.
Notes
@dev: you can define Python functions here, with hardcoded spectroscopic coefficients.
Or, you can use the spectroscopic coefficients given in radis/db/CO2
under
JSON format.
In both cases, you will need to overwrite the Erovib()
method. See radis.db.molecules.py
- EvJ_co2(v1, v2, l2, v3, J, coeff_dict, remove_ZPE=True)[source]¶
Rovibrational energies of CO2 calculated with
EvJ_uncoupled_vibrating_rotor()
Examples
Calculate energy of CO2 first asymmetric mode (v3 = 1)
from radis.db.utils import get_herzberg_coefficients from radis.levels.energies_co2 import EvJ_co2 herzberg = get_herzberg_coefficients('CO2', 1, 'X1SIGu+') # Now calculate energy E = EvJ_co2(0,0,0,1,0,herzberg)
See also
EvJ_uncoupled_vibrating_rotor()
- EvJah_co2(v1, v2, l2, v3, J, coeff_dict, remove_ZPE=True)[source]¶
Harmonic and anharmonic parts of rovibrational energies of CO2 calculated with
EvJah_uncoupled_vibrating_rotor()
See also