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ExoMol (www.exomol.com), a group at UCL closely linked to the Twinkle space mission, perform theoretical calculations involving quantum chemistry in order to work out what the spectra of each molecule of astrophysical interest, i.e. to what extent different wavelengths of light will be absorbed depending on which molecule is in the atmosphere.
ExoMol (www.exomol.com), a group at UCL closely linked to the Twinkle space mission, perform theoretical calculations involving quantum chemistry in order to work out what the spectra of each molecule of astrophysical interest, i.e. to what extent different wavelengths of light will be absorbed depending on which molecule is in the atmosphere.
The ExoMol project builds a database of molecules, with each spectra or line-list acting like a unique barcode or signature for that molecule. This is essential for the astronomers who are observing these distance star-planet systems to be able to investigate their atmospheres.
The ExoMol project builds a database of molecules, with each spectra or line-list acting like a unique barcode or signature for that molecule. This is essential for the astronomers who are observing these distance star-planet systems to be able to investigate their atmospheres.
The ExoMol research group was formed at University College London in 2011 from an “Advanced Research Grant” which was awarded to Prof. Jonathan Tennyson. The purpose of the group is to calculate linelists (list of wavelengths and associated intensities) for molecules which are of astrophysical interest. These linelists are calculated using quantum-chemistry packages to solve the Schrodinger equation for the particular molecule of interest. Experimental data which is available is used to refine the linelists produced. These molecules include polyatomics such as water, methane, phosphine (PH3), ammonia, C3, formaldehyde (CH2O) and diatomics such as VO and TiO.
The ExoMol research group was formed at University College London in 2011 from an “Advanced Research Grant” which was awarded to Prof. Jonathan Tennyson. The purpose of the group is to calculate linelists (list of wavelengths and associated intensities) for molecules which are of astrophysical interest. These linelists are calculated using quantum-chemistry packages to solve the Schrodinger equation for the particular molecule of interest. Experimental data which is available is used to refine the linelists produced. These molecules include polyatomics such as water, methane, phosphine (PH3), ammonia, C3, formaldehyde (CH2O) and diatomics such as VO and TiO.
ExoMol's goals are to:
- Produce high quality spectroscopic data relevant to exoplanet characterisation → becoming broader post 2016.
- Line lists usually covering visible, IR & radio region containing
- Energy levels of 1000s-millions of quantum states
- Transitions between them (millions-billions)
- Accurate for molecules in high temperatures
ExoMol methodology
ExoMol methodology
Electronic Structure Programs perform quantum chemistry calculations to find the potential energy curves (diatomics) or surfaces (larger molecules) and dipole moment surfaces for molecules.
Nuclear motion program may be
- Duo (diatomics, many electronic states)
- DVR3D (triatomics)
- TROVE (larger molecules)
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