ExoMol molecular line lists – XXXV. A rotation-vibration line list for hot ammonia

Author:

Coles Phillip A1,Yurchenko Sergei N1,Tennyson Jonathan1ORCID

Affiliation:

1. Department of Physics and Astronomy, University College London, London WC1E 6BT, UK

Abstract

ABSTRACT A new hot line list for 14NH3 is presented. The line list CoYuTe was constructed using an accurate, empirically refined potential energy surface and a CCSD(T)/aug-cc-pVQZ ab initio dipole moment surface of ammonia, previously reported. The line list is an improvement of the ammonia line list BYTe. The CoYuTe line list covers wavenumbers up to 20 000 cm−1, i.e. wavelengths beyond 0.5 μm for temperatures up to 1500 K. Comparisons with the high temperature experimental data from the literature show excellent agreement for wavenumbers below 6000 cm−1. The CoYuTe line list contains 16.9 billion transitions and is available from the ExoMol website (www.exomol.com) and the CDS data base.

Funder

Engineering and Physical Sciences Research Council

Science and Technology Research Council

COST Action

BIS National E-infrastructure

STFC

Publisher

Oxford University Press (OUP)

Subject

Space and Planetary Science,Astronomy and Astrophysics

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