HITRAN in the XXI th Century: Beyond Voigt and Beyond Earth L.S. Rothman, a I.E. Gordon, a C. Hill, a,b R.V. Kochanov, a,c P. Wcisło, a,d J. Wilzewski e a Harvard-Smithsonian Center for Astrophysics Atomic and Molecular Physics Division Cambridge MA, USA b University College London, London, UK c Tomsk State University, Tomsk, RUSSIA d Nicolas Copernicus University, Torun, POLAND e Harvard University, Astronomy Dept, Cambridge MA, USA 22 June 2015

Outline  Status of line-by-line transitions and cross-sections  Parameters for extraterrestrial atmospheres  Advanced line-shape formalism

 Edition of 2012, with some updates  47 molecules with about 200 isotopologues in line-by-line section - spectroscopic parameters limited to 160 characters - fixed-width format for data fields  50 molecules represented as experimental cross- sections at various pressures and temperatures  Global tables and files HITRAN Edition through 2014

 ASCII fixed format  Only air- and self-broadening Lorentzian widths  Only temperature dependence of air-broadening  Only air-pressure shift  Some tables for non-Voigt profiles (SDV for CO, Galatry for O 2 A-band, HF, and HCl) (SDV for CO, Galatry for O 2 A-band, HF, and HCl)  Line-mixing limited (CO 2, CO, O 2 A-band) HITRAN Edition through 2014

5 Species (isotopologues) in line-by-line portion of HITRAN H 2 O H 2 O (6) NO NO (3) HCl HCl (4) N 2 N 2 (2) COF2 COF2 (2) NO + NO + (1) C 4 H 2 C 4 H 2 (1) CO 2 CO 2 (10) SO 2 SO 2 (2) HBr HBr (4) HCN HCN (3) SF 6 SF 6 (1) HOBr HOBr (2) HC 3 N HC 3 N (1) O 3 O 3 (5) NO 2 NO 2 (1) HI HI (2) CH 3 Cl CH 3 Cl (2) H 2 S H 2 S (3) C 2 H 4 C 2 H 4 (2) H 2 H 2 (2) N 2 O N 2 O (5) NH 3 NH 3 (2) ClO ClO (2) H 2 O 2 H 2 O 2 (1) HCOOH HCOOH (1) CH 3 OH CH 3 OH (1) CS CS (4) CO CO (6) HNO 3 HNO 3 (2) OCS OCS (5) C 2 H 2 C 2 H 2 (3) HO 2 HO 2 (1) CH 3 Br CH 3 Br (2) SO 3 SO 3 (1) CH 4 CH 4 (4) OH OH (3) H 2 CO H 2 CO (3) C 2 H 6 C 2 H 6 (2) O O (1) CH 3 CN CH 3 CN (1) O 2 O 2 (3) HF HF (2) HOCl HOCl (2) PH 3 PH 3 (1) ClONO 2 ClONO 2 (2) CF 4 CF 4 (1)

Additional Parameters Line Shape  Other foreign collision partners (H 2, He, H 2 O, CO 2,…)  Pressure shifts  Temperature dependences  Parameters for Hartmann-Tran profile (HTP)  Line mixing HITRAN goes Relational  Parameter fields replaced by tables  More parameters possible  Field length issue solved  Functions possible – see talk by R. Kochanov (MH03)

Venus Saturn Titan Jupiter HD b C2H2C2H2 SO 2 OCSHClHFCONH 3 Perturbed by H 2 YYNYYYY Perturbed by HeYYYYYYY Perturbed by CO 2 YYYYYYY Prepared datasets for half widths Y = available; N = unavailable Note, SO 2 -CO 2 scaled from SO 2 -H 2

Construction of New Data Sets Available He-broadening data for C 2 H 2

Construction of New Data Sets Constructed line list data for C 2 H 2

Line Profile Models Considered See Tennyson et al, Pure and Applied Chemistry 86, 1931 (2014).

numerical correlation

Experiment VP HTP H 2 in HITRAN Model system for HTP tests Strong Dicke narrowing Strong speed dependence Lines are well isolated

SAO HITRAN team members Iouli GordonChristian Hill Kelly ChanceRoman Kochanov Jonas Wilzewski Piotr Wcisło Jonas Wilzewski Piotr Wcisło James DamonLorenzo Barret Acknowledgments Huge International Collaborative Effort International HITRAN Advisory Committee Funding Support NASA Earth Observing System NASA Planetary Atmospheres Program Fulbright Foundation