Jonathan Tennyson Molecular Line Lists for Exoplanets and Other ...
Jonathan Tennyson Molecular Line Lists for Exoplanets and Other ...
Jonathan Tennyson Molecular Line Lists for Exoplanets and Other ...
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Potential energy<br />
Ab initio: solve <strong>for</strong> motion of electrons<br />
9D surface<br />
130 000<br />
geometries<br />
MOLPRO<br />
CCSD(T)-f12/QZ<br />
Solve <strong>for</strong> the motion<br />
of the nuclei<br />
TROVE<br />
Yurchenko, Thiel, Jensen<br />
Sergei Yurchenko<br />
Ab initio<br />
10 electrons<br />
Ground<br />
electronic state<br />
Intensity (cm/molecule)<br />
1x10 -20<br />
1x10 -22<br />
1x10 -24<br />
1x10 -26<br />
1x10 -28<br />
1x10 -30<br />
1x10 -30<br />
1x10 -28<br />
1x10 -26<br />
1x10 -24<br />
1x10 -22<br />
1x10 -20<br />
HITRAN<br />
ExoMol<br />
Dipole moment<br />
Three 9D surfaces<br />
130 000<br />
geometries<br />
MOLPRO<br />
CCSD(T)-f12/QZ<br />
<strong>Line</strong> list:<br />
1 2 3 4 5 6 7 8 9 10<br />
wavelength, µm<br />
Billions of transitions<br />
CH 4
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