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Dataset

 

High accuracy room temperature line lists for the isotopologues of carbon dioxide

Update Frequency: Not Planned
Latest Data Update: 2018-11-19
Status: Completed
Online Status: ONLINE
Publication State: Published
Publication Date: 2019-03-04
Download Stats: last 12 months
Dataset Size: 13 Files | 86MB
Abstract

This dataset contains room temperature spectral line lists for 13 isotopologues of CO2, which have been calculated as part of the NERC (Natural Environment Research Council) funded 'High accuracy line intensity for carbon dioxide' project. These high accuracy line lists were derived for use in remote sensing of CO2 in the atmosphere. The dataset has been calculated from a theoretical model using the AMES potential energy surface and an accurate ab initio dipole moment surface. Data is provided in HITRAN format.

Citable as:  Zak, E.; Tennyson, J.; Polyansky, O.L. (2019): High accuracy room temperature line lists for the isotopologues of carbon dioxide. Centre for Environmental Data Analysis, date of citation. https://catalogue.ceda.ac.uk/uuid/b8cbc75bfaa1414fa4431cff170a9e99
Abbreviation: Not defined
Keywords: CO2, carbon dioxide, line list

Details

Previous Info:
No news update for this record
Previously used record identifiers:
No related previous identifiers.
Access rules:
Public data: access to these data is available to both registered and non-registered users.
Use of these data is covered by the following licence: http://www.nationalarchives.gov.uk/doc/open-government-licence/version/3/. When using these data you must cite them correctly using the citation given on the CEDA Data Catalogue record.
Data lineage:

Data were produced as part of the NERC funded project 'High accuracy line intensities for carbon dioxide', Grant Reference NE/J010316/1 and sent to the Centre for Environmental Data for Analysis for archiving.
Data Quality:
Data are as provided by the project.
File Format:
Data are in HITRAN 2004 format (as defined in L.S. Rothman, D. Jacquemart, A. Barbe et al., "The HITRAN 2004 molecular spectroscopic database", Journal of Quantitative Spectroscopy and Radiative Transfer 96, 139-204 (2005).)

Related Documents

 Emil Zak, Jonathan Tennyson, Oleg L. Polyansky, Lorenzo Lodi, Nikolay F. Zobov, Sergey A. Tashkun, Valery I. Perevalov, A room temperature CO2 line list with ab initio computed intensities, Journal of Quantitative Spectroscopy and Radiative Transfer, 177, 31-42 (2016)
 Emil J. Zak, Jonathan Tennyson, Oleg L. Polyansky, Lorenzo Lodi, Nikolay F. Zobov, Sergei A. Tashkun, Valery I. Perevalov, Room temperature linelists for CO2 asymmetric isotopologues with ab initio computed intensities, Journal of Quantitative Spectroscopy and Radiative Transfer, 203, 2017, 265-281, https://doi.org/10.1016/j.jqsrt.2017.01.037
 Zak EJ, Tennyson J, Polyansky OL, Lodi L, Tashkun SA, Perevalov VI., 'Room temperature line lists for CO2 symmetric isotopologues with ab initio computed intensities. J Quant Spectrosc Radiat Transf 2017;189:267–280. http://dx.doi. org/10.1016/j.jqsrt.2016.11.022.
 Exomol project web page

Process overview

This dataset was generated by the computation detailed below.
Title

Theoretical calculation of line intensties for isotopologues of CO2
Abstract

Spectral line lists for CO2 have been calculated from a theoretical model using the AMES potential energy surface and an accurate ab initio dipole moment surface.
Input Description

None
Output Description

None
Software Reference

J. Tennyson, M.A. Kostin, P. Barletta, G.J. Harris, O.L. Polyansky, J. Ramanlal and N.F. Zobov (2004). DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules. Computer Phys. Comm, 163. 85-116

No variables found.

Coverage
Temporal Range
Start time:
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End time:
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Related parties
Authors (3)
Publishers (1)
Funders (1)
Principal Investigators (1)