A variationally computed T=300 K line list for the methyl radical CH3
Jensen, Per
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https://hdl.handle.net/2142/104509
Description
Title
A variationally computed T=300 K line list for the methyl radical CH3
Author(s)
Jensen, Per
Contributor(s)
Yurchenko, Sergei N.
Yachmenev, Andrey
Adam, Ahmad Y.
Issue Date
2019-06-21
Keyword(s)
Astronomy
Date of Ingest
2019-07-15T22:17:04Z
2020-01-25T19:30:52Z
Abstract
We present the first variational calculation of a room temperature \textit{ab initio} line list for
the CH$_3$ radical. It is based on a high level {\it ab initio} potential energy surface and dipole
moment surface of CH$_3$ in the ground electronic state. The ro-vibrational energy levels and Einstein
$A$ coefficients were calculated using the general-molecule variational approach implemented in the computer program
TROVE. Vibrational energies and vibrational intensities are found to be in very good agreement with
the available experimental data.
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