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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

The HITRAN 2008 Molecular Spectroscopic Database

This paper describes the status of the 2008 edition of the HITRAN molecular spectroscopic database. The new edition is the first official public release since the 2004 edition, although a number of crucial updates had been made available online since 2004. The HITRAN compilation consists of several components that serve as input for radiative-transfer calculation codes: individual line parameters for the microwave through visible spectra of molecules in the gas phase; absorption cross-sections for molecules having dense spectral features, i.e., spectra in which the individual lines are not resolved; individual line parameters and absorption cross sections for bands in the ultra-violet; refractive indices of aerosols, tables and files of general properties associated with the database; and database management software. The line-by-line portion of the database contains spectroscopic parameters for forty-two molecules including many of their isotopologues.

Rothman, Laurence S.↗
NASA NTRS2002

High-Resolution Spectroscopic Database for the NASA Earth Observing System Program

The purpose of this project is to develop and enhance the HITRAN molecular spectroscopic database and associated software to support the observational programs of the Earth Observing System (EOS). In particular, the focus is on the EOS projects: the Atmospheric Infrared Sounder (AIRS), the High-Resolution Dynamics Limb Sounder (HIRDLS), Measurements of Pollution in the Troposphere (MOPITT), the Tropospheric Emission Spectrometer (TES), and the Stratospheric Aerosol and Gas Experiment (SAGE III). The data requirements of these programs in terms of spectroscopy are varied, but usually call for additional spectral parameters or improvements to existing molecular bands. In addition, cross-section data for heavier molecular species must be expanded and made amenable to modeling in remote sensing. The effort in the project also includes developing software and distribution to make access, manipulation, and use of HITRAN functional to the EOS program.

Rothman, Laurence S.↗
NASA NTRS2003

High-Resolution Spectroscopic Database for the NASA Earth Observing System Program

The purpose of this project is to develop and enhance the HITRAN molecular spectroscopic database and associated software to support the observational programs of the Earth Observing System (EOS). In particular, the focus is on the EOS projects: the Atmospheric Infrared Sounder (AIRS), the High-Resolution Dynamics Limb Sounder (HIRDLS), Measurements of Pollution in the Troposphere (MOPITT), the Tropospheric Emission Spectrometer (TES), and the Stratospheric Aerosol and Gas Experiment (SAGE III). The HITRAN program is also involved in the Ozone Monitoring Experiment (OMI). The data requirements of these programs in terms of spectroscopy are varied with respect to constituents being observed, required remote-sensing parameters, and spectral coverage. A general requisite is for additional spectral parameters and improvements to existing molecular bands sufficient for the simulation of the observations leading to retrieval of the atmospheric state. In addition, cross-section data for heavier molecular species must be expanded and made amenable to modeling in remote sensing. The effort in the project also includes developing software and distribution to make access, manipulation, and use of HITRAN functional to the EOS program.

Rothman, Laurence↗
NASA NTRS2004

High-Resolution Spectroscopic Database for the NASA Earth Observing System Program

The purpose of this project is to develop and enhance the HITRAN molecular spectroscopic database and associated - software to support the observational programs of the Earth observing System (EOS). In particular, the focus is on the EOS projects: the Atmospheric Infrared Sounder (AIRS), the High-Resolution Dynamics Limb Sounder (HIRDLS), Measurements of Pollution in the Troposphere (MOPITT), the Tropospheric Emission Spectrometer (TES), and the Stratospheric Aerosol and Gas Experiment (SAGE III). The HITRAN program is also involved in the Ozone Monitoring Experiment (OMI). The data requirements of these programs in terms of spectroscopy are varied with respect to constituents being observed, required remote-sensing parameters, and spectral coverage. A general requisite is for additional spectral parameters and improvements to existing molecular bands sufficient for the simulation of the observations leading to retrieval of the atmospheric state. In addition cross-section data for heavier molecular species must be expanded and made amenable to modeling in remote sensing. The effort in the project also includes developing software and distribution to make access, manipulation, and use HITRAN functional to the EOS program.

Rothman, Laurence S.↗
NASA NTRS2004

High Resolution Spectroscopic Database for the NASA Earth Observing System Program

The purpose of this project has been to develop and enhance the HITRAN molecular spectroscopic database and associated software to support the observational programs of the Earth Observing System (EOS). Emphasis has been on the EOS projects: the Atmospheric Infrared Sounder (AIRS), the High-Resolution Dynamics Limb Sounder (HIRDLS), Measurements of Pollution in the Troposphere (MOPITT), the Tropospheric Emission Spectrometer (TES), and the Stratospheric Aerosol and Gas Experiment (SAGE III). The HITRAN program is also involved in the Ozone Monitoring Experiment (OMI). The data requirements of these programs in terms of spectroscopy are varied with respect to constituents being observed, required remote-sensing parameters, and spectral coverage. A general requisite is for additional spectral parameters and improvements to existing molecular bands sufficient for the simulation of the observations leading to retrieval of the atmospheric state. In addition, cross-section data for heavier molecular species must be expanded and made amenable to modeling in remote sensing. The effort in the project also includes developing software and distribution to make access, manipulation, and use of HITRAN functional to the EOS program.

Rothman, Laurence↗
NASA NTRS2017

The HITRAN2016 Molecular Spectroscopic Database

This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional molecules important in different areas of atmospheric science have been added to the database. The compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into an underlying relational database structure that offers many advantages over the long-standing sequential text-based structure. The new structure empowers the user in many ways. It enables the incorporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. A powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided.

HITRAN↗
NASA NTRS2004

A Complex Two Dimensional Spectroscopic Database: The HST Treasury Archive for Eta Carinae

The HST Treasury Program on eta Carinae produced one of the most complex and ambitious spectroscopic datasets obtained with the Hubble Space Telescope. The archival database includes the STIS/CCD and MAMA data during its recent spectroscopic event in 2003, plus all of the STIS observations of the object and its ejecta obtained during its spectroscopic cycle beginning in 1998. The database permits users to query via instrument, target, date, wavelength range, position angle, and position and allows the user to display the spectrum and download it in fits format. We have also developed software for ease of extraction and display and analysis. The user can go from an initial query to doing science in only 20 minutes! A demonstration of the database and software will be available at the poster.

Humphreys, R. M.↗
NASA NTRS1985

Spectroscopic database

Several aspects of quantitative atmospheric spectroscopy are considered, using a classification of the molecules according to the gas amounts in the stratosphere and upper troposphere, and reviews of quantitative atmospheric high-resolution spectroscopic measurements and field measurements systems are given. Laboratory spectroscopy and spectral analysis and prediction are presented with a summary of current laboratory spectroscopy capabilities. Spectroscopic data requirements for accurate derivation of atmospheric composition are discussed, where examples are given for space-based remote sensing experiments of the atmosphere: the ATMOS (Atmospheric Trace Molecule) and UARS (Upper Atmosphere Research Satellite) experiment. A review of the basic parameters involved in the data compilations; a summary of information on line parameter compilations already in existence; and a summary of current laboratory spectroscopy studies are used to assess the data base.

Husson, N.↗
NASA NTRS2006

Atomic Spectroscopic Databases at NIST

We describe recent work at NIST to develop and maintain databases for spectra, transition probabilities, and energy levels of atoms that are astrophysically important. Our programs to critically compile these data as well as to develop a new database to compare plasma calculations for atoms that are not in local thermodynamic equilibrium are also summarized.

Reader, J.↗
NASA NTRS2006

THz Spectroscopy and Spectroscopic Database for Astrophysics

Molecule specific astronomical observations rely on precisely determined laboratory molecular data for interpretation. The Herschel Heterodyne Instrument for Far Infrared, a suite of SOFIA instruments, and ALMA are each well placed to expose the limitations of available molecular physics data and spectral line catalogs. Herschel and SOFIA will observe in high spectral resolution over the entire far infrared range. Accurate data to previously unimagined frequencies including infrared ro-vibrational and ro-torsional bands will be required for interpretation of the observations. Planned ALMA observations with a very small beam will reveal weaker emission features requiring accurate knowledge of higher quantum numbers and additional vibrational states. Historically, laboratory spectroscopy has been at the front of submillimeter technology development, but now astronomical receivers have an enormous capability advantage. Additionally, rotational spectroscopy is a relatively mature field attracting little interest from students and funding agencies. Molecular data base maintenance is tedious and difficult to justify as research. This severely limits funding opportunities even though data bases require the same level of expertise as research. We report the application of some relatively new receiver technology into a simple solid state THz spectrometer that has the performance required to collect the laboratory data required by astronomical observations. Further detail on the lack of preparation for upcoming missions by the JPL spectral line catalog is given.

Pearson, John C.↗
NASA NTRS2006

THz Spectroscopy and Spectroscopic Database for Astrophysics

Molecule specific astronomical observations rely on precisely determined laboratory molecular data for interpretation. The Herschel Heterodyne Instrument for Far Infrared, a suite of SOFIA instruments, and ALMA are each well placed to expose the limitations of available molecular physics data and spectral line catalogs. Herschel and SOFIA will observe in high spectral resolution over the entire far infrared range. Accurate data to previously unimagined frequencies including infrared ro-vibrational and ro-torsional bands will be required for interpretation of the observations. Planned ALMA observations with a very small beam will reveal weaker emission features requiring accurate knowledge of higher quantum numbers and additional vibrational states. Historically, laboratory spectroscopy has been at the front of submillimeter technology development, but now astronomical receivers have an enormous capability advantage. Additionally, rotational spectroscopy is a relatively mature field attracting little interest from students and funding agencies. Molecular database maintenance is tedious and difficult to justify as research. This severely limits funding opportunities even though data bases require the same level of expertise as research. We report the application of some relatively new receiver technology into a simple solid state THz spectrometer that has the performance required to collect the laboratory data required by astronomical observations. Further detail on the lack of preparation for upcoming missions by the JPL spectral line catalog is given.

THz spectrometer↗
DOE OSTI2021

SPEARS: A Database-Invariant Spectral modeling API

The Spectral Physics Environment for Advanced Remote Sensing (SPEARS) application programming interface (API) is a Python-based, line-by-line, local thermal equilibrium (LTE) spectral modeling code which is optimized for simultaneously synthesizing optical spectra from any combination of fundamental spectroscopic databases. In this article, we contribute two novel spectral modeling techniques to the scientific literature. First we describe how SPEARS integrates a physics-based collisional model for calculating pressure broadening in the absence of available broadening coefficients. With this collisional model implementation, a generalized approach to fundamental spectroscopic databases can be achieved across multiple databases. We also detail our adaptive grid mesh algorithm developed to make the code scalable for simulating large spectral bandwidths at high spectral fidelity using intuitive grid parameters. Here, we present comparisons to other modeling tools, experiments, and provide a discussion on the SPEARS user interface.

47 OTHER INSTRUMENTATION↗
NASA NTRS2000

Improvement of the Database on the 1.13-microns Band of Water Vapor

Corrections have recently been reported (Giver et al.) on the short-wave (visible and near-infrared) line intensities of water vapor that were catalogued in the spectroscopic database known as HITRAN. These updates have been posted on www.hitran.com, and are being used to reanalyze the polar stratospheric absorption in the 0.94 microns band as observed in POAM. We are currently investigating additional improvement in the 1.13 microns band using data obtained by us with an absorption path length of 1.107 km and 4 torr of water vapor and the ab initio line list of Partridge and Schwenke (needs ref). We are proposing the following four types of improvement of the HITRAN database in this region: 1) HITRAN has nearly 200 lines in this region without proper assignments of rotational quantum levels. Nearly all of them can now be assigned. 2) We have measured positions of the observable H2O-17 and H2O-18 lines. These lines in HITRAN currently have approximate positions based upon rather aged computations. 3) Some additional lines are observed and assigned which should be included in the database. 4) Corrections are necessary for the lower state energies E" for the HITRAN lines of the 121-010 "hot" band.

Giver, Lawrence P.↗
NASA NTRS2006

Quantum Entanglement Molecular Absorption Spectrum Simulator

Quantum Entanglement Molecular Absorption Spectrum Simulator (QE-MASS) is a computer program for simulating two photon molecular-absorption spectroscopy using quantum-entangled photons. More specifically, QE-MASS simulates the molecular absorption of two quantum-entangled photons generated by the spontaneous parametric down-conversion (SPDC) of a fixed-frequency photon from a laser. The two-photon absorption process is modeled via a combination of rovibrational and electronic single-photon transitions, using a wave-function formalism. A two-photon absorption cross section as a function of the entanglement delay time between the two photons is computed, then subjected to a fast Fourier transform to produce an energy spectrum. The program then detects peaks in the Fourier spectrum and displays the energy levels of very short-lived intermediate quantum states (or virtual states) of the molecule. Such virtual states were only previously accessible using ultra-fast (femtosecond) laser systems. However, with the use of a single-frequency continuous wave laser to produce SPDC photons, and QEMASS program, these short-lived molecular states can now be studied using much simpler laser systems. QE-MASS can also show the dependence of the Fourier spectrum on the tuning range of the entanglement time of any externally introduced optical-path delay time. QE-MASS can be extended to any molecule for which an appropriate spectroscopic database is available. It is a means of performing an a priori parametric analysis of entangled photon spectroscopy for development and implementation of emerging quantum-spectroscopic sensing techniques. QE-MASS is currently implemented using the Mathcad software package.

Nguyen, Quang-Viet↗
NASA NTRS2018

Planetary Spectrum Generator: An Accurate Online Radiative Transfer Suite for Atmospheres, Comets, Small Bodies and Exoplanets

We have developed an online radiative-transfer suite (https://psg.gsfc.nasa.gov) applicable to a broad range of planetary objects (e.g., planets, moons, comets, asteroids, TNOs, KBOs, exoplanets). The Planetary Spectrum Generator (PSG) can synthesize planetary spectra (atmospheres and surfaces) for a broad range of wavelengths (UV/Vis/near-IR/IR/far-IR/THz/sub-mm/Radio) from any observatory (e.g., JWST, ALMA, Keck, SOFIA), any orbiter (e.g., ExoMars, Juno), or any lander (e.g., MSL). This is achieved by combining several state-of-the-art radiative transfer models, spectroscopic databases and planetary databases (i.e., climatological and orbital). PSG has a 3D (three-dimensional) orbital calculator for most bodies in the solar system, and all confirmed exoplanets, while the radiative-transfer models can ingest billions of spectral signatures for hundreds of species from several spectroscopic repositories. It integrates the latest radiative-transfer and scattering methods in order to compute high resolution spectra via line-by-line calculations, and utilizes the efficient correlated-k method at moderate resolutions, while for computing cometary spectra, PSG handles non-LTE and LTE excitation processes. PSG includes a realistic noise calculator that integrates several telescope/instrument configurations (e.g., interferometry, coronagraphs) and detector technologies (e.g., CCD, heterodyne detectors, bolometers). Such an integration of advanced spectroscopic methods into an online tool can greatly serve the planetary community, ultimately enabling the retrieval of planetary parameters from remote sensing data, efficient mission planning strategies, interpretation of current and future planetary data, calibration of spectroscopic data, and development of new instrument/spacecraft concepts.

Villanueva, G. L.↗
NASA NTRS2003

Infrared Spectroscopy of Star Formation in Galactic and Extragalactic Regions

In this program we proposed to perform a series of spectroscopic studies, including data analysis and modeling, of star formation regions using an ensemble of archival space-based data from the Infrared Space Observatory's Long Wavelength Spectrometer and Short Wavelength Spectrometer, and to take advantage of other spectroscopic databases including the first results from SIRTF. Our emphasis has been on star formation in external, bright IR galaxies, but other areas of research have included young, low or high mass pre-main sequence stars in star formation regions, and the galactic center. The OH lines in the far infrared were proposed as one key focus of this inquiry, because the Principal Investigator (H. Smith) had a full set of OH IR lines from IS0 observations. It was planned that during the proposed 2-1/2 year timeframe of the proposal other data (including perhaps from SIRTF) would become available, and we intended to be responsive to these and other such spectroscopic data sets. The program has the following goals: 1) Refine the data analysis of IS0 observations to obtain deeper and better SNR results on selected sources. The IS0 data itself underwent pipeline 10 reductions in early 2001, and the more 'hands-on data reduction packages' have been released. The IS0 Fabry-Perot database is particularly sensitive to noise and can have slight calibration errors, and improvements are anticipated. We plan to build on these deep analysis tools and contribute to their development. Model the atomic and molecular line shapes, in particular the OH lines, using revised montecarlo techniques developed by the Submillimeter Wave Astronomy Satellite (SWAS) team at the Center for Astrophysics. 2) 3) Use newly acquired space-based SIRTF or SOFIA spectroscopic data as they become available, and contribute to these observing programs as appropriate. 4) Attend scientific meetings and workshops. 5) E&PO activities, especially as related to infrared astrophysics and/or spectroscopy.

Smith, Howard A.↗