Catalogs
- The Collision Database (C. Vastel, 18. April 2024)
The aim of this database is to provide the community an up-to-date database on the collisional coefficients to be used with the RADEX radiative transfer modelling. These files are mandatory for the non-LTE modelling within CASSIS. To date there are three updated collision databases:
The LAMDA database maintained by F. van der Tak at the Leiden University (Netherlands), the Basecol database maintained by M.-L. Dubernet at the Paris observatory (France) and the EMAA database. The LAMDA and EMAA database has the advantage to provide collision files directly used with the RADEX tool. The Basecol database does not generate files directly used with this tool. RADEX is implemented within the CASSIS software and CASSIS needs to address the quantum numbers associated with the molecular/atomic transitions to perform line identification and generate synthetic spectra for example.
With this project I am trying to gather the most up-to-date collision files provided by LAMDA, BASECOL, and by the scientists feeding the databases (e.g. F. Lique, A. Faure). I then made those files compatible with their associated molecular database (JPL and/or CDMS) so that the quantum numbers, Einstein coefficients, upper energy levels and rest frequencies match. Indeed, some species may have less quantum numbers from database to another.Currently the database contains data for 76 molecular species. Several isotopomers and deuterated versions are also available. Work is currently underway to add more datafiles. We encourage comments from the users in order
to improve and extend the database. Here is below the proposed collision files to be used in CASSIS. You can also use your own modified collision rates, but be careful to use the underscore symbol between the quantum numbers. Example:
! LEVEL + ENERGY(CM-1) + WEIGHT + QUANTUM NOS.
1 0.0000 3.0 0 0 0
2 2.1346 9.0 1 0 1
should be :
! LEVEL + ENERGY(CM-1) + WEIGHT + QUANTUM NOS.
1 0.0000 3.0 0_0_0
2 2.1346 9.0 1_0_1
Then, when using the LTE-RADEX modelling within CASSIS, select your file using Ctrl + left click under the "Collision" tab.
The previous list of the collision files implemented in CASSIS5.0 can be found here.
| CASSIS TAGS | Species | Collision File | Colliders | References | Notes | Caveats |
| 12501 | C | C-H-e-H+-He-o-p-H2.dat | H, o-H2, p-H2, He, H+, e | Launay & Roueff (1977); Johnson, Burke, & Kingston 1987, JPhysB, 20, 2553; Roueff & Le Bourlot 1990, A&A, 236, 515; Staemmler, V., Flower, D.R. 1991, J. Phys. B, 24, 2343 Schroeder et al. 1991, J. Phys. B, 24, 2487 | From LAMDA, 13 Mar 2018 | T=[10-1200] K for o-p-H2 |
| 12503 | C+ | C+-o-p-H2-H-e.dat | o-H2, p-H2, H, e | Wiesenfeld & Goldsmith (2014), Lique et al. (2013), Barinovs et al. 2005, ApJ, 620, 537, Wilson & Bell, 2002, MNRAS, 337, 1027; Launay & Roueff, 1977, JPB, 10, 879; Flower & Launay (1977, JPB, 10, 3673) | From LAMDA, 13 Mar 2018 | T=[10-500] K for o-p-H2 |
| 15501 | NH | NH-He-scaled.dat | He scaled (*1.3335) | Dumouchel et al. (2012), Journal of Chemical Physics, Volume 137, Issue 11 | Provided by F. Lique (7 dec 2016) | T=[5-150] K |
| 15001 | NH | NH-He-scaled.dat | He scaled (*1.3335) | Dumouchel et al. (2012), Journal of Chemical Physics, Volume 137, Issue 11 | Provided by F. Lique (7 dec 2016) | T=[5-150] K |
| 16001 | O | O-o-pH2-H-H+-e-jpl.dat | o-H2, p-H2, H, H+, e | Lique et al. (2017), MNRAS 474, 2313 | Provided by F. Lique (6 nov 2017), adapted by CV for the 2 transitions in JPL | T=[10-1000] K for o-p-H2 |
| 16502 | ND | ND-He-scaled.dat | He scaled (*1.3335) | ND-He rates from Dumouchel et al. (2012), unpublished | Provided by F. Lique (7 dec 2016), modified by CV 23 Aug 2017 | T=[5-150] K |
| 17001 | OH | OH-o-p-H2.dat | ortho and para H2 | OH o-H2 and pH2 from Offer et al. (1994) + Offer priv. comm. | Constructed by CV based on LAMDA, 4 Oct 2017 | T=[15-200] K |
| 17082 | p-NH3 | p-NH3-pH2.dat | para H2 | Danby et al 1988, MNRAS 235, 229 | From LAMDA, 25 Aug 2017 | T=[15-300] K |
| 17092 | o-NH3 | o-NH3-pH2.dat | para H2 | Danby et al 1988, MNRAS 235, 229 | From LAMDA, 25 Aug 2017 | T=[15-300] K |
| 18083 | p-H2O | p-H2O-o-p-H2-jpl.dat | ortho and para H2 | pH2O - pH2 and pH2O - oH2 from Daniel et al. (2011), assuming thermal o/p for H2 | From LAMDA, 23 Aug 2017 | T=[5-1500] K |
| 18093 | o-H2O | o-H2O-o-p-H2-jpl.dat | ortho and para H2 | oH2O - pH2 and oH2O - oH2 from Daniel et al. (2011), assuming thermal o/p for H2 | From LAMDA, 23 Aug 2017 | T=[5-1500] K |
| 18581 | p-NH2D | p-NH2D-o-p-H2.dat | ortho and para H2 | oH2 and thermalized pH2 from Daniel et al (2014): oH2 is assumed similar to pH2 (j2 = 2) | constructed by CV from LAMDA, 25 Aug 2017 | T=[5-300] K CV corrects the IDs for o and p H2 in the LAMDA file. Confirmation asked to Floris (and received) on August 25th, 2017 |
| 18591 | o-NH2D | o-NH2D-o-p-H2.dat | ortho and para H2 | oH2 and thermalized pH2 from Daniel et al (2014): oH2 is assumed similar to pH2 (j2 = 2) | constructed by CV from LAMDA, 25 Aug 2017 | T=[5-300] K CV corrects the IDs for o and p H2 in the LAMDA file. Confirmation asked to Floris (and received) on August 25th, 2017 |
| 19002 | HDO | HDO-o-p-H2-jpl.dat | ortho and para H2 | Faure et al. (2012) | From LAMDA, 23 Aug 2017 | T=[5-300] K |
| 20002 | HF | HF-o-p-H2-e-He.dat | ortho and para H2, e and He | Guillon & Stoecklin (2012), Thummel et al. (1991), Reese et al. (2005) | From LAMDA, 14 Mar 2018 | T=[10-300] K for H2 |
| 25001 | CCH | C2H-He-scaled-e.dat | He scaled (*1.36) and e | Spielfiedel et al (2012), scaled by 1.36 from their rates with He | From LAMDA, 23 Aug 2017 | T=[5-100] K |
| 25501 | CCH | C2H-He-scaled-e.dat | He scaled (*1.36) and e | Spielfiedel et al (2012), scaled by 1.36 from their rates with He | From LAMDA, 23 Aug 2017 | T=[5-100] K |
| 26504 | CN | CN-pH2-cdms.dat | para H2 | Kalugina et al. (2012), MNRAS, 422, 812 | constructed by CV December 6th, 2017 based on Basecol file | T =[5-100] K |
| 27501 | HCN | HCN-He-scaled-e-cdms.dat | He scaled (*1.363) and e | Dumouchel et al. (2010) | constructed by CV based on LAMDA file (April 2018) | T=[5-500] and T=[5-800] K no HFS |
| 27501 | HCN | HCN-pH2-cdms.dat | para H2 | Hernandez-Vera et al., J. Chem. Phys. vol140, 22, 2014 | constructed by CV April 19th, 2017 based on Basecol file | T=[5-100] K no HFS |
| 27501 | HCN | HCN-He-scaled-cdms.dat | He scaled (*1.363) | Green & Thaddeus (1974) + extrapolation | constructed by CV based on LAMDA, March 14, 2019 | T=[5-1200] K |
| 27601 | HCN | HCN-hfs-pH2-cdms-1.dat | para H2 | Abdallah et al. MNRAS 419, 2441-2447, 2012 | constructed by CV April 17th, 2018 based on Basecol file | T=[5-100] K HFS |
| 27601 | HCN | HCN-hfs-pH2-cdms-2.dat | para H2 | Hernandez-Vera et al., MNRAS 468, 1084, 2017 | constructed by CV April 2nd, 2019 based on LAMDA file | T=[5-30] K HFS |
| 27502 | HNC | HNC-o-p-H2-cdms.dat | ortho and para H2 | Dumouchel, Klos & Lique Phys. Chem. Chem. Phys., 2011, 13, 8204-8212 | constructed by CV April 10th, 2017 based on files given by F. Dumouchel. Valid for CDMS database | T=[5-100] K |
| 27502 | HNC | HNC-He-scaled-cdms.dat | He scaled (*1.363) | Dumouchel et al. (2010) | From Lamda | T=[5-500] K |
| 28001 | CO | CO-o-p-H2.dat | ortho and para H2 | Yang et al. (2010) | from LAMDA, Aug 22, 2017 | T=[2-3000] K |
| 28001 | CO | CO-high-J.dat | ortho and para H2 | from Yang et al (2010) extrapolated by David Neufeld (13dec2010) | from LAMDA, Aug 22, 2017 | T=[2-3000] K For High J transitions (J=80) |
| 28503 | CO | CO-o-p-H2.dat | ortho and para H2 | Yang et al. (2010) | from LAMDA, Aug 22, 2017 | T=[2-3000] K |
| 28503 | CO | CO-high-J.dat | ortho and para H2 | from Yang et al (2010) extrapolated by David Neufeld (13dec2010) | from LAMDA, Aug 22, 2017 | T=[2-3000] K For High J transitions (J=80) |
| 28515 | HN13C | HN13C-He-scaled-cdms.dat | He scaled (*1.363) | Dumouchel et al. (2010) | Constructed by CV May 2nd 2017, using Lamda. | T=[5-500] K |
| 28515 | HN13C | HN13C-o-p-H2-cdms.dat | ortho and para H2 | Dumouchel, Klos & Lique Phys. Chem. Chem. Phys., 2011, 13, 8204-8212 | Constructed by CV May 3nd 2017, based on HNC files given by F. Dumouchel. Valid for CDMS database | T=[5-100] K |
| 28501 | H13CN | H13CN-pH2-cdms.dat | para H2 | Hernandez-Vera et al., J. Chem. Phys. vol140, 22, 2014 | constructed by CV April 26th, 2017 based on HCN file | T=[5-100] K |
| 28506 | HC15N | HC15N-p-H2-cdms.dat | para H2 | Hernandez-Vera et al., J. Chem. Phys. vol140, 22, 2014 | constructed by CV April 26th, 2017 based on HCN file | T=[5-100] K |
| 28508 | DNC | DNC-o-p-H2-cdms.dat | ortho and para H2 | Dumouchel, Klos & Lique Phys. Chem. Chem. Phys., 2011, 13, 8204-8212 | constructed by CV April 19th, 2017 based on HNC files given by F. Dumouchel. Valid for CDMS database | T=[5-100] K |
| 28508 | DNC | DNC-He-scaled-cdms.dat | He scaled (*1.363) | Dumouchel et al. (2010) | constructed by CV April 19th, 2017 based on HNC file | T=[5-500] K no HFS |
| 28509 | DCN | DCN-p-H2-cdms.dat | para H2 | Hernandez-Vera et al., J. Chem. Phys. vol140, 22, 2014 | constructed by CV April 26th, 2017 based on HCN file | T=[5-100] K |
| 29001 | 13CO | 13CO-o-p-H2.dat | ortho and para H2 | Yang et al. (2010) | from LAMDA, Aug 23, 2017 | T=[2-3000] K |
| 29002 | HCO+ | HCO+-H2-jpl.dat | H2 | Yazidi et al. MNRAS 441, 664-670 (2014) | Given by F. Lique adapted to match the JPL spectroscopy | T=[10-490] K |
| 29006 | C17O | C17O-o-p-H2.dat | ortho and para H2 | Yang et al. (2010) | from LAMDA, Aug 23, 2017 | T=[2-3000] K JPL only, as CDMS has HFS which LAMDA does not have |
| 29501 | 13CO | 13CO-o-p-H2.dat | ortho and para H2 | Yang et al. (2010) | from LAMDA, Aug 23, 2017 | T=[2-3000] K |
| 29506 | N2H+ | N2H+-H2-cdms.dat | H2 | Schoier et al. A&A 432, 369 (2005) | from LAMDA, Feb 14, 2018, but adapted by CV for the CDMS spectroscopy | T=[10-2000] K |
| 29507 | HCO+ | HCO+-H2-cdms.dat | H2 | Yazidi et al. MNRAS 441, 664-670 (2014) | Given by F. Lique, adapted to match the CDMS spectroscopy | T=[10-490] K |
| 29507 | HCO+ | HCO+-xpol-H2-cdms.dat | H2 | Flower (1999) + extrapolation 10-2000K | From Lamda | T=[10-2000] K The Einstein coeff, frequencies and energy levels are different from JPL or CDMS |
| 29510 | D13CN | D13CN-pH2-cdms.dat | para H2 | Hernandez-Vera et al., J. Chem. Phys. vol140, 22, 2014 | constructed by CV April 26th, 2017 based on HCN file | T=[5-100] K |
| 29511 | DC15N | DC15N-pH2-cdms.dat | para H2 | Hernandez-Vera et al., J. Chem. Phys. vol140, 22, 2014 | constructed by CV April 26th, 2017 based on HCN file | T=[5-100] K |
| 29511 | DC15N | DC15N-He-scaled-cdms.dat | He scaled (*1.363) | Dumouchel et al. (2010) | constructed by EM | T=[5-500] K |
| 30001 | C18O | C18O-o-p-H2.dat | ortho and para H2 | Yang et al. (2010) | from LAMDA, Aug 23, 2017 | T=[2-3000] K |
| 30008 | NO | NO-He-scaled-jpl.dat | He scaled (*1.4) | Lique et al. (2009), A&A 493, 557 | constructed by CV December 5th, 2017 based on Lamda file | T=[10-300] K |
| 30517 | NO | NO-He-scaled-cdms.dat | He scaled (*1.4) | Lique et al. (2009), A&A 493, 557 | from LAMDA, Dec 13, 2017, but adapted by CV for the CDMS spectroscopy | T=[10-300] K |
| 30502 | C18O | C18O-o-p-H2.dat | ortho and para H2 | Yang et al. (2010) | from LAMDA, Aug 23, 2017 | T=[2-3000] K |
| 30504 | H13CO+ | H13CO+-H2-cdms.dat | H2 | Yazidi et al. MNRAS 441, 664-670 (2014) | constructed by CV April 26th, 2017 based on HCO+ file | T=[10-490] K |
| 30504 | H13CO+ | H13CO+-xpol-H2-cdms.dat | H2 | Flower (1999) + extrapolation 10-2000K | constructed by CV April 26th, 2017 based on HCO+ file | T=[10-2000] K |
| 30505 | HC17O+ | HC17O+-H2-cdms.dat | H2 | Flower (1999) + extrapolation 10-2000K | from LAMDA, Aug 23, 2017 | T=[10-2000] K |
| 30510 | DCO+ | DCO+-H2-cdms.dat | H2 | Flower (1999) + extrapolation 10-2000K | from LAMDA, Aug 23, 2017 | T=[10-2000] K |
| 30581 | p-H2CO | p-H2CO-o-p-H2-cdms.dat | ortho and para H2 | Wiesenfeld & Faure MNRAS (2013) | from LAMDA, Aug 24, 2017 | T=[10-300] K |
| 30591 | o-H2CO | o-H2CO-o-p-H2-cdms.dat | ortho and para H2 | Wiesenfeld & Faure MNRAS (2013) | from LAMDA, Aug 24, 2017 | T=[10-300] K |
| 31506 | HC18O+ | HC18O+-H2-cdms.dat | H2 | Flower (1999) + extrapolation 10-2000K | from LAMDA, Aug 23, 2017 | T=[10-2000] K |
| 31508 | D13CO+ | D13CO+-H2-cdms.dat | H2 | Flower (1999) + extrapolation 10-2000K | constructed by CV Aug 23 2017 based on HCO+ file | T=[10-2000] K |
| 32001 | O2 | O2-H2-jpl.dat | H2 | Lique et al. 2014 | Provided by F. Lique (7 dec 2016) | T=[5-150] K |
| 32083 | e-CH3OH | e-CH3OH-pH2.dat | para H2 | Rabli & Flower (2010) | constructed by CV from LAMDA, Aug 24, 2017 | T=[10-200] K |
| 32093 | a-CH3OH | a-CH3OH-pH2.dat | para H2 | Rabli & Flower (2010) | constructed by CV from LAMDA, Aug 24, 2017 | T=[10-200] K |
| 32584 | e-CH3OH | e-CH3OH-col.dat | para H2 | Rabli & Flower (2010) | from EMAA, April 18, 2024 | T=[10-200] K |
| 32594 | a-CH3OH | a-CH3OH-col.dat | para H2 | Rabli & Flower (2010) | from EMAA, April 18, 2024 | T=[10-200] K |
| 32508 | O2 | O2-H2-cdms.dat | H2 | Lique et al. 2014 | Provided by F. Lique (7 dec 2016) | T=[5-150] K |
| 34082 | p-H2S | p-H2S-o-p-H2.dat | ortho and para H2 | p-H2S - oH2 and pH2 scaled from H2O-H2 (Daniel/Dubernet et al 2012) | from LAMDA, Aug 23, 2017 | T=[5-1500] K |
| 34092 | o-H2S | o-H2S-o-p-H2.dat | ortho and para H2 | oH2O - pH2 from Dubernet et al (2009) and oH2O - oH2 from Daniel et al. (2011), assuming thermal o/p for H2, scaled to oH2S | from LAMDA, Aug 23, 2017 | T=[5-1500] K |
| 34582 | p-H2S | p-H2S-o-p-H2-cdms.dat | ortho and para H2 | Paul J. Dagdigian, accepted in MNRAS (2020) | given by Paul, Avril 17th 2020 | T=[5-1500] K |
| 34592 | o-H2S | o-H2S-o-p-H2-cdms.dat | ortho and para H2 | Paul J. Dagdigian, accepted in MNRAS (2020) | given by Paul, Avril 17th 2020 | T=[5-1500] K |
| 36001 | HCl | HCl-o-p-H2.dat | ortho and para H2 | Lanza et al. 2014 | constructed by CV from LAMDA, Mar 13, 2018 | T=[10-300] |
| 38082 | p-c-C3H2 | p-c-C3H2-H2-jpl.dat | H2 | Chandra & Kegel (2000) | from LAMDA, Aug 23, 2017 | T=[30-120] The Einstein A coefficients have been re-scaled using a dipole moment of 3.27 D |
| 38092 | o-c-C3H2 | o-c-C3H2-H2-jpl.dat | H2 | Chandra & Kegel (2000) | from LAMDA, Aug 23, 2017 | T=[30-120] The Einstein A coefficients have been re-scaled using a dipole moment of 3.27 D |
| 38582 | p-c-C3H2 | p-c-C3H2-H2-cdms | H2 | Chandra & Kegel (2000) | from LAMDA, Aug 23, 2017 | T=[30-120] The Einstein A coefficients have been re-scaled using a dipole moment of 3.27 D |
| 38592 | o-c-C3H2 | o-c-C3H2-H2-cdms.dat | H2 | Chandra & Kegel (2000) | from LAMDA, Aug 23, 2017 | T=[30-120] The Einstein A coefficients have been re-scaled using a dipole moment of 3.27 D |
| 41001 | CH3CN | CH3CN-H2-jpl.dat | H2 | S. Green 1986, ApJ 309, 331 | constructed by CV from LAMDA, Aug 24, 2017 | T=[20-500] K |
| 41505 | CH3CN | CH3CN-H2-cdms.dat | H2 | S. Green 1986, ApJ 309, 331 | constructed by CV from LAMDA, Aug 24, 2017 | T=[20-500] K to be tested with the new database. Update on nov 2016 with 3 quantum number instead of 2 |
| 43511 | HNCO | HNCO-H2-o-pH2.dat | H2 (from Helium), para H2 and ortho H2 | Green, S. 1986, NASA Technical Memorandum 87791; Sahnoun, et al. 2018, Journal of Physical Chemistry A Â Â Volume: 122 Â Â Issue: 11 Â Â Special Issue: SI Â Â Pages: 3004-3012 | constructed by CV April 17th, 2018, based on a file given by L. Wiesenfeld (22 January 2018) | T=[20-320], [7-300], [7-300] K |
| 44001 | CS | CS-He-scaled-jpl.dat | He scaled (*1.363) | Lique et al (2006) | from LAMDA, Aug 23, 2017 | T=[10-300] K |
| 44001 | CS | CS-o-p-H2-jpl.dat | ortho and para H2 | Denis-Alpizar et al. (2013) | constructed by CV May 2nd 2018, based on file given by Otoniel Denis-Alpizar | T=[5-305] K |
| 44501 | CS | CS-He-scaled-cdms.dat | He scaled (*1.363) | Lique et al (2006) | constructed by CV on Aug 23, 2017, based on LAMDA file | T=[10-300] K |
| 44501 | CS | CS-o-p-H2-cdms.dat | ortho and para H2 | Denis-Alpizar et al. (2013) | constructed by CV May 2nd 2018, based on file given by Otoniel Denis-Alpizar | T=[5-305] K |
| 44505 | SiO | SiO-He-scaled.dat | He scaled (*1.38) | Dayou & Balanca (2006) + extrapolation | constructed by CV from LAMDA, Aug 24, 2017 | T=[10-2000] K |
| 45501 | 13CS | 13CS-He-scaled-cdms.dat | He scaled (*1.363) | Lique et al (2006) | constructed by CV on Mar 13, 2018 based on LAMDA CS | T=[10-300] K |
| 45504 | 29SiO | 29SiO-He-scaled.dat | He scaled (*1.38) | Dayou & Balanca (2006) + extrapolation | constructed by CV from LAMDA, Aug 24, 2017 | T=[10-2000] K |
| 45506 | HCS+ | HCS+-H2.dat | H2 | adopting HCO+ - H2 from Flower (1999) + extrapolation | from LAMDA, Aug 24, 2017 | T=[10-2000] K |
| 46501 | C34S | C34S-He-scaled-cdms.dat | He scaled (*1.363) | Lique et al (2006) | constructed by CV on Mar 13, 2018 based on LAMDA CS | T=[10-300] K |
| 46515 | NS | NS-He-scaled-cdms.dat | He scaled (*1.4) | Lique and Klos 2016 | constructed by CV April 17th, 2018 based on collisions given by F. Lique (January 25th, 2018) | T=[5-30] K |
| 48001 | SO | SO-He-scaled.dat | He scaled (*1.363) | Lique et al (2006) | from LAMDA, Aug 23, 2017 | T=[60-300] K |
| 48001 | SO | SO-pH2.dat | para H2 | Lique et al (2007) | constructed by CV from BASECOL, Aug 23, 2017 | T=[5-50] K |
| 48501 | SO | SO-He-scaled.dat | He scaled (*1.363) | Lique et al (2006) | from LAMDA, Aug 23, 2017 | T=[60-300] K |
| 48501 | SO | SO-pH2.dat | para H2 | Lique et al (2007) | constructed by CV from BASECOL, Aug 23, 2017 | T=[5-50] K |
| 51501 | HC3N | HC3N-o-p-H2-cdms.dat | ortho and para H2 | Faure et al. 2016 MNRAS 460 2103 | Given by A. Faure | T=[10-300] K |
| 60001 | OCS | OCS-H2.dat | H2 | Green & Chapman 1978 + extrapolation | from LAMDA, Aug 23, 2017 | T=[10-500] K |
| 60503 | OCS | OCS-H2.dat | H2 | Green & Chapman 1978 + extrapolation | from LAMDA, Aug 23, 2017 | T=[10-500] K |
| 64502 | SO2 | SO2-He-scaled.dat | He scaled (*1.39) | Green 1995 + extrapolation from Schoier al. (2005) | from LAMDA, Aug 23, 2017 | T=[10-375] K |
| 64502 | SO2 | SO2-o-p-H2.dat | ortho and para H2 | Cernicharo et al. 2011 | constructed by CV from BASECOL, Aug 23, 2017 | T=[5-30] K |