radis.db.molecules module

Predefined molecules using RADIS built-in spectroscopic constants

See Molecules

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CO2_X_626 = <radis.db.classes.ElectronicState object>

CO2 1st isotope (\(^{16}O^{12}C^{16}O\)), electronic ground state

CO2_X_627 = <radis.db.classes.ElectronicState object>

CO2 4th isotope (\(^{16}O^{12}C^{17}O\)), electronic ground state

CO2_X_628 = <radis.db.classes.ElectronicState object>

CO2 3rd isotope (\(^{16}O^{12}C^{18}O\)), electronic ground state

CO2_X_636 = <radis.db.classes.ElectronicState object>

CO2 2nd isotope (\(^{16}O^{13}C^{16}O\)), electronic ground state

CO_X_iso1 = <radis.db.classes.ElectronicState object>

CO first isotope (\(^{16}O^{12}C\)), electronic ground state

CO_X_iso2 = <radis.db.classes.ElectronicState object>

CO 2nd isotope (\(^{16}O^{13}C\)), electronic ground state

CO_X_iso3 = <radis.db.classes.ElectronicState object>

CO 3rd isotope (\(^{18}O^{12}C\)) electronic ground state

Molecules = {'CO': {1: {'X': <radis.db.classes.ElectronicState object>}, 2: {'X': <radis.db.classes.ElectronicState object>}, 3: {'X': <radis.db.classes.ElectronicState object>}}, 'CO2': {1: {'X': <radis.db.classes.ElectronicState object>}, 2: {'X': <radis.db.classes.ElectronicState object>}, 3: {'X': <radis.db.classes.ElectronicState object>}, 4: {'X': <radis.db.classes.ElectronicState object>}}}

list of Electronic states whose energy levels can be calculated with RADIS built-in spectroscopic constants.

For references refer to the definition of each molecule: CO:

• CO_X_iso1

• CO_X_iso2

• CO_X_iso3

CO2:

• CO2_X_626

• CO2_X_636

• CO2_X_628

• CO2_X_627

See also

getMolecule(), ElectronicState

Type

dict

getMolecule(molecule, isotope=None, electronic_state=None, verbose=True) → ElectronicState

Get an ElectronicState object in the RADIS Molecules list, which use the defaults spectroscopic constants.

Parameters

• molecule (str) – molecule name

• isotope (int, or None) – isotope number. if None, only one isotope must exist in database. Else, an error is raised

• electronic_state (str) – if None, only one electronic state must exist in database. Else, an error is raised

• verbose (boolean) – if True, print which electronic state we got

Returns

ElectronicState

Return type

an ElectronicState object.

Examples

Get rovibrational energies using the default spectroscopic constants:

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))

Calculate Rovibrational Energies

Calculate Rovibrational Energies

See also

Molecules, ElectronicState