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 asymetric 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()