Ames-1 296k Ir Line Lists For N2o Isotopologues

Huang, Xinchuan

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https://hdl.handle.net/2142/116811 Copy

Description

Title

Ames-1 296k Ir Line Lists For N2o Isotopologues

Author(s)

Huang, Xinchuan

Contributor(s)

• Lee, Timothy J.
• Schwenke, David

Issue Date

2022-06-21

Keyword(s)

Linelists

Abstract

\begin{wrapfigure}{l}{0pt} \includegraphics[scale=1]{Graph4.eps} \end{wrapfigure} Ames-1 296K IR Line lists are reported for N$_{2}$O in the range of 0 - 15,000 \wn, with line intensity cut off at 1E-30 cm$/$molecule.\footnote{Funded by NASA Grant 18-APRA18-0013 and through NASA$/$SETI Co-operative Agreement 80NSSC20K1358.} Six isotopologues (446,456,546,448,447 and 556) are included in a "natural" N$_{2}$O combo list with their terrestrial abundances. The Ames-1 potential energy surface (PES) for N$_{2}$O was refined using selected HITRAN data (J$<$80) up to 8000 \wn and additional levels (J=0-1) up to 15,000 \wn with reduced weights. For 6908 J=0-98 levels of $^{14}$N$_{2}^{16}$O in HITRAN2020, the Ames-1 based levels agree with $\sigma_{rms}$=0.021 \wn. The Ames-1 dipole moment surface (DMS) was fit from extrapolated CCSD(T)/aug-cc-pV(T,Q,5)Z dipoles, with fitting $\sigma_{rms}$ = 2.7E-5 a.u. for 5184 points in 0 - 20,000 \wn. In general, the "Ames-1 PES + Ames-1 DMS" intensity finds good agreement with HITRAN, and a few bands $>$ 10,000 \wn. Isotopologue line lists are compared to published Effective Hamiltonian models for potential combination of reliable intensities and accurate line positions. Future improvements are planned for PES, DMS and line lists. See http://huang.seti.org for latest update.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116811

DOI

https://doi.org/10.15278/isms.2022.TC05

Copyright and License Information

Copyright 2022 held by the authors

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