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Laurence S. Rothman Harvard-Smithsonian Center for Astrophysics

Spectroscopic Parameters for the Atmospheres of Extrasolar Planets. Laurence S. Rothman Harvard-Smithsonian Center for Astrophysics Atomic and Molecular Physics Division Cambridge MA 02138, USA. Molecules in the atmospheres of extrasolar planets Paris, FRANCE 19-21 Novembre 2008. PAST.

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Laurence S. Rothman Harvard-Smithsonian Center for Astrophysics

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  1. Spectroscopic Parameters for the Atmospheres of Extrasolar Planets Laurence S. Rothman Harvard-Smithsonian Center for Astrophysics Atomic and Molecular Physics Division Cambridge MA 02138, USA Molecules in the atmospheres of extrasolar planets Paris, FRANCE 19-21 Novembre 2008 1

  2. PAST 2

  3. 3

  4. 4

  5. 1824 ► Greenhouse effect - gases in the atmosphere increase the surface temperature of the Earth - Planets lose energy by infrared radiation (that Fourier called "chaleur obscure" or "dark heat") - Fourier transform spectroscopy (FTS) Jean Baptiste Joseph Fourier March 21, 1768 – May 16, 1830 5

  6. Joseph-Marie Jacquard – 1801 Charles Babbage ~ 1820 HITRAN – 1973 Florida - 2000 6

  7. HITRAN law? 7

  8. PRESENT 8

  9. 96 (2005) 139-204 9

  10. JavaHAWKS Software Installers and Documentation Level 1 Level 2 Level 3 File Structure of HITRAN Compilation HITRAN (line-transition parameters) IR Cross-sections UV Line Coupling CO2 data Aerosol Refractive Indices Global Data Files, Tables, and References Line-by-line Cross-sections Supplemental Supplemental Alternate Molecule- by-molecule 10

  11. HITRAN Line-by-line Parameters 160-character total 11

  12. 12

  13. ►Reassignment of visible spectra [Tennyson et al] ►Update of γself [Gamache et al] ►Implement IUPAC results [Tennyson et al] ►OCO line list for near IR [Brown, Miller et al] ►CDSD [Tashkun et al] ►Weak bands [Campargue et al] ►New 0 to 4800 cm-1 [Brown et al] ►CH3D 3300-3700 cm-1 [Brown et al] ►Line-shape calculations, supplemented with exp. H2O –water CO2 – carbon dioxide CH4 – methane Some New Updates 13

  14. Global fit Methane Challenge 1.7 μm 2.3 μm new 14

  15. O3 – Ozone O2 – Oxygen HNO3 – nitric acid More New Updates….. ►Major update 1632-5870 cm-1 [Reims/Tomsk] ►Improved line-shape algorithm ► (UV) Corrected Schumann-Runge list ► Added Herzberg bands ►Improved A-band [Brown and co-workers] ►Update 600-1790 cm-1 [Perrin et al] ►FurtherImprovements in 11-µm region [Gomez et al] 15 O3 – ozone O3 – ozone O3 – ozone A major update has been made for the first three isotopologues of ozone, thanks to the Reims-Tomsk collaborative effort [http://smpo.iao.ru]. The new data cover bands in the spectral range 1632 to 5870 cm-1, thereby extending the short wavelength coverage of HITRAN. In addition, an improved algorithm for incorporating ozone line-shape parameters has been applied to all ozone bands in the compilation. O3 – ozone A major update has been made for the first three isotopologues of ozone, thanks to the Reims-Tomsk collaborative effort [http://smpo.iao.ru]. The new data cover bands in the spectral range 1632 to 5870 cm-1, thereby extending the short wavelength coverage of HITRAN. In addition, an improved algorithm for incorporating ozone line-shape parameters has been applied to all ozone bands in the compilation. A major update has been made for the first three isotopologues of ozone, thanks to the Reims-Tomsk collaborative effort [http://smpo.iao.ru]. The new data cover bands in the spectral range 1632 to 5870 cm-1, thereby extending the short wavelength coverage of HITRAN. In addition, an improved algorithm for incorporating ozone line-shape parameters has been applied to all ozone bands in the compilation. A major update has been made for the first three isotopologues of ozone, thanks to the Reims-Tomsk collaborative effort [http://smpo.iao.ru]. The new data cover bands in the spectral range 1632 to 5870 cm-1, thereby extending the short wavelength coverage of HITRAN. In addition, an improved algorithm for incorporating ozone line-shape parameters has been applied to all ozone bands in the compilation.

  16. Species Currently Covered (line-by-line portion) 97 Isotopologues 16

  17. Species Currently Covered (IR Cross-sections) 17

  18. IUPAC Water-Vapor Task Distributed Information System • Collect all kinds of original information about the high-resolution spectroscopy of the water molecule • Provide active storage of these data and related metadata • Deliver information to users in different forms via the Internet 18

  19. IUPAC vs HITRAN Ro-vibrational levels for H217O 19

  20. Intersection des Banques de Données HITRAN et HITEMP H I T E M P HITRAN 20

  21. HITRAN vs HITEMP CO2 • 250 ppm CO2 • 5-meter source • 100 feet above the surface 21

  22. Comparison of CDSD and old HITEMP with Measurements Figure 4. Comparison of CDSD and old HITEMP with measurments at 1550K 22

  23. HITEMP • Line-absorption parameters in HITRAN format • Constituents - Water Vapor: 0 to 25000 cm-1 @ 1000K,1500K - Carbon Dioxide: 400 to 10000 cm-1 @ 1000K - Carbon Monoxide: 0 to 10000 cm-1 @ solar temperature - Hydroxyl Radical: 0 to 19300 cm-1 @NLTE 23

  24. New HITEMP Water List Assembly List created using BT2 database - for principal isotopologue, created at 296K with lines that have significant intensity at 4000K, J <50 Partition Function Experimental high-temperature line positions - Based on quantum numbers, replace frequencies with experimental ones (when available) HITRAN database Einstein A-coefficients, Statistical weights Line-shape parameters (widths, shifts, etc) HITEMP Water Line List Convert to HITRAN2004 format Combination of BT2, high-temperature experiments, and HITRAN 24

  25. Improvements and Enhancements to theCompilationbeing considered ►More temperature-pressure sets of cross-sections (IR and UV) ►Improved database structure (IUPAC paradigm) ►High-temperature parameters (HITEMP) ►Molecules for astrophysics applications ►Refined line-shape parameters ►Additional line-mixing algorithms ►Collision-Induced Absorption bands 25

  26. Access web site: http://cfa.harvard.edu/HITRAN • Gives instructions for accessing compilation (free) • Updates • - Documentation • - Links to related databases • - HITRAN facts • - Related conferences 26

  27. JavaHAWKS Java version of HITRAN Atmospheric WorKStation • Functions to manipulate and filter the HITRAN and • associated molecular spectroscopic databases • Plotting of line-by-line files and cross-section files • Internet access to HITRAN and other related databases • Links to abstracts that are the sources for • HITRAN parameters • Access to archival HITRAN documentation 27

  28. Some Sources of Errors in the HITRAN Database • Theory • Perturbations • Line shapes • Lack of convergence • Limit of basis sets • Measurement • Calibration • Resolution • Photometric accuracy • Pressure, temperature, stability, … • Methods of analysis • Identification of lines • Units • Transcription 28

  29. HITRAN International Advisory Committee 29

  30. Typical Cross-section files CCl2F2 (CFC-12) CClF3 (CFC-13) CF4 (CFC-14) SF6 30

  31. Comparison of different theoretical line lists with high-temperature observation Figure 1. Comparison of different theoretical line lists with high-temperature experiments 31

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