Ames Molecular Spectroscopic Data For Astrophysical And Atmospheric Studies: CO2 Line Lists

(To download: Righ-Click and Select "Save Target As...")

[Last Page Update: 05/11/2017; Last Data Update: 04/21/2017]
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Ames-296K.reduced IR Lists For 13 CO2 Isotopologues

Based On Empirically Refined Ames-2 PES and Pure ab initio DMS-N2

  626   636   628   627   638   637   828   728   727   838   737   646

The 2017 updates & summary paper for Ames CO2 project: JQSRT, in press (2017) [Open Access To Public]
         Ames-2016 Line Lists for 13 Isotopologues of CO2: Updates, Consistency, and Remaining Issues
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Ames-2016 "Natural" CO2 IR List at 296K: Download (62 MB, .zip)
(Terrestial abundances are used: 1.29E-12 for 646)
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CDSD_296 + Ames-2016 IR Intensity: Download (18 MB, .zip)
[Einstein A21 coeffs ready; 419 CDSD-296 transitions cannot match]
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Ames-2 PES based rovibrational energy levels: (NOT ASSIGNED)
    626   636   628   627   638   637   828   728   727   838   738   737   646  

Ames-2 PES based rovibrational energy levels: (ASSIGNED)
    (will update when new assignments become reliable in high energy region)
    626   636   628   627   638   637   828   728   727   838   738   737   646  

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A high-temperature CO2 line list generated from old Ames-1 PES based Ames-296K and Ames-1000K lists of 13 isotopologues [2014.Nov. Version]

Check the README for the details about how the high-temp list was constructed
Download the List (681 MB, .tgz file)

New Ames-2 PES based 1000K (reduced) lists will become available soon
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Previous Notes in June 2016

Based On Empirically Refined Ames-1 PES and Pure ab initio DMS-N2

The Ames-1 PES was reported in J.Chem.Phys. 136, 124311 (2012)
        An isotopic-independent highly accurate potential energy surface for CO2 isotopologues and an initial 12C16O2 infrared line list
The DMS-N2 dipole surface was reported in JQSRT 130, 134-146 (2013)
        Semi-empirical 12C16O2 IR line lists for simulations up to 1500 K and 20,000 cm-1
Details of the Ames-296K (full and reduced) and Ames-1000K.reduced lists for 13 CO2 isotopologues are reported in JQSRT 147, 134-144 (2014).
        Reliable InfraRed Line Lists for 13 CO2 Isotopologues up to E(up)=18,000 cm-1 and 1500K, with Line Shape Parameters

Download .tgz data files (J=0-150 energy levels and transitions) from here
   Use co2.f90 to create executable co2.x, run it and follow the directions.
   (Intel Fortran Compiler Compatible)

NOTE: The accuacy of Ames-1 PES based line lists also benefits from various error cancellations. Recently we have identified
a C=O stretch related potential parameter defect in previous refinement and calculations. Compared to previously release line lists,
the latest line lists on this website have small energy differences for all rovibrational energy levels and transition wavenumbers.
The energy changes could be as large as ~0.1 cm-1, especially for some high-lying rovibrational bands. When we compare the two sets
of predictions to experiments, it is true that previous lists could work better in several cases. We have been working on next Ames-2
refinements by including recent experimental data and fixing the known defect.

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This page was modified on May 11, 2017, by Xinchuan Huang @ SETI / NASA Ames.

Please send questions to Xinchuan.Huang-1@nasa.gov or Xinchuan@gmail.com