1. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 Line Data Model Matteo Guainazzi* Marie-Lise Dubernet**, Pedro Osuna*, Evelyne Roueff**, Jesus Salgado* * ESA/VO - European Space Astronomy Centre (ESAC) ** VO/France – LERMA, Observatoire de Paris *** VO/France – LUTh, Observatoire de Paris

2. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 Overall goals Define VO standard to access atomic and molecular line databases Intended to support laboratory data, as well as databases of observed lines at any wavelengths Organized around the concept of “Line”, defined as the result of a transition between two “Levels” (“initial”/”final”) this concept encompasses both bound-bound, and free-bound transitions “Levels” are characterized by a series of attributes, organized in classes: “Species” (the properties of the atom/molecule they belong) “QuantumState”/”QuantumNumber” (describing the quantum states of the initial/final level) It shall be possible to describe processes which generate lines, or modify their observational properties in astrophysical plasmas

3. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 Document status and perspectives Current version: 0.2 (26/9/2005) A discussion on several – albeit mostly minor – points is ongoing Short-term goal: Version 0.3 - agreed by mid-November - will be circulated to the DM group, as well as to atomic and molecular astrophysicists for comments Ultimate goal: achieve the status of a proposed recommendation by the next InterOp meeting in grey concepts which are still under discussion

4. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 Structure LineLevel QuantumSta te QuantumNum ber Process Model Species Environme nt Chemistry

5. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 Line Scope: describe the overall properties of the observed line, and of its corresponding transition Attributes: “Wavelenght” (SEDCoord) Observational properties: intensity/flux significance broadening wavelength shift Transition properties: Einstein coefficients oscillator strengths transition type Spectral Data Model

6. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 Species Scope: describe the properties of the atom/molecule/compound, where the transition generating the line occurs Attributes: identifiers atomic/molecular symbols/formula, atomic number, number of atoms (in a molecule) general physical properties polarisability, first ionisation potential, ionisation state, formation enthalpy, permanent electric dipole moment, total mass, quadrupole moment fundamental configuration Do we need a general “Chemistry” model to reconstruct molecule or compounds (formulae) from their elemental particles? the model does not intrinsically require an explicit distinction between an atom and a molecule “class” so far

7. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 Level – QuantumState - QuantumNumber Scope: describe the quantum state of the levels, between which the transition originating the line occurs Attributes: Physical properties: energy (with its origin) statistical weight lifetime quantum constants (Lande factor etc.) Quantum state: normalized probability molecular term symbol configuration parity symmetries quantum numbers

8. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 Examples of Quantum Numbers QuantumNumber.name = “j” QuantumNumber.type = “Total angular momentum” QuantumNumber.origin1 = “L” QuantumNumber.origin2 = “S” QuantumNumber.numeratorValue = 3 QuantumNumber.denominatorValue = 2 QuantumNumber.name = “s” QuantumNumber.type = “Spin angular momentum” QuantumNumber.origin1 = UNDEF QuantumNumber.origin2 = UNDEF QuantumNumber.numeratorValue = 1 QuantumNumber.denominatorValue = 2 Coupling of L and S Value = 3/2 Pure state Value = 1/2 A full list of “acceptable” quantum number will be published

9. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 Process/Environment Scope: describe the physical process(es) which generates or modifies a line, and the properties of the astrophysical medium where it occurs Attributes: Process: Type/name Each process is described by its own Model class Examples: “relativistic profile distortion”, “thermal”/”natural broadening”, “radiative recombination continua” Environment: Thermodynamics (temperature, density, pressure, entropy, density) Optical depth Metallicity Mass

10. European Space Astronomy Centre (ESAC) Villafranca del Castillo, Spain Matteo Guainazzi IVOA InterOp meeting, 7 October 2005 User cases  Radio astronomical spectroscopy of the hyperfine structure in N 2 H + (Caselli et al. 1995)  Radiative recombination continua in the XMM-Newton/RGS spectrum of the Seyfert 2 galaxy NGC1068 (Kinkhabwala et al. 2002)  ISO Line Database (see I.Barbarisi's talk, Application/14:30)