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Showing papers in "Journal of Quantitative Spectroscopy & Radiative Transfer in 2010"


Journal ArticleDOI
TL;DR: In this paper, a new molecular spectroscopic database for high-temperature modeling of the spectra of molecules in the gas phase is described, called HITEMP, which is analogous to the HITRAN database but encompasses many more bands and transitions than HitRAN for the absorbers H2O, CO2, CO, NO and OH.
Abstract: A new molecular spectroscopic database for high-temperature modeling of the spectra of molecules in the gas phase is described. This database, called HITEMP, is analogous to the HITRAN database but encompasses many more bands and transitions than HITRAN for the absorbers H2O, CO2, CO, NO, and OH. HITEMP provides users with a powerful tool for a great many applications: astrophysics, planetary and stellar atmospheres, industrial processes, surveillance, non-local thermodynamic equilibrium problems, and investigating molecular interactions, to name a few. The sources and implementation of the spectroscopic parameters incorporated into HITEMP are discussed.

1,715 citations


Journal ArticleDOI
TL;DR: This work discus basic wet-chemical routes to fabricate conjugates of gold, silver, or composite particles with controllable size, shape, structure and with surface functionalization by biospecific molecules and application of plasmonic bioconjugates to such fields as homogeneous and solid-phase assays, biomedical sensing and imaging, biodistribution and toxicity aspects, drug delivery and plAsmonic photothermal therapy.
Abstract: Nanoparticle plasmonics is a rapidly emerging research field that deals with the fabrication and optical characterization of noble metal nanoparticles of various size, shape, structure, and tunable plasmon resonances over VIS-NIR spectral band. The recent simultaneous advances in synthesis, characterization, electromagnetic simulation, and surface functionalization of plasmonic nanoparticles by biospecific molecular probes have led to a perfect publication storm in discoveries and potential biomedical applications of plasmon-resonant nanoparticle bioconjugates. Here, we present an overview of these topics. First, we discus basic wet-chemical routes to fabricate conjugates of gold, silver, or composite particles with controllable size, shape, structure and with surface functionalization by biospecific molecules. Second, we consider the single-particle dipole and multipole optics and coupled plasmonic nanoparticle arrays. Finally, we discus application of plasmonic bioconjugates to such fields as homogeneous and solid-phase assays, biomedical sensing and imaging, biodistribution and toxicity aspects, drug delivery and plasmonic photothermal therapy.

571 citations


Journal ArticleDOI
TL;DR: In this paper, an improved solar reference spectrum for atmospheric spectra from vacuum wavelengths of 200.07 through 1000.99 nm was developed by combining high spectral resolution ground-based and balloon-based solar measurements with lower spectral resolution but higher accuracy irradiance information.
Abstract: We have developed an improved solar reference spectrum for use in the analysis of atmospheric spectra from vacuum wavelengths of 200.07 through 1000.99 nm. The spectrum is developed by combining high spectral resolution ground-based and balloon-based solar measurements with lower spectral resolution but higher accuracy irradiance information. The new reference spectrum replaces our previous reference spectrum, and its derivatives, for use in a number of physical applications for analysis of atmospheric spectra, including: wavelength calibration; determination of instrument transfer (slit) functions; Ring effect (Raman scattering) correction; and correction for spectral undersampling of atmospheric spectra, particularly those that are dilute in absorbers. The applicability includes measurements from the GOME, SCIAMACHY, OMI, and OMPS satellite instruments as well as aircraft-, balloon-, and ground-based measurements.

377 citations


Journal ArticleDOI
TL;DR: In this article, the energy levels and line positions of the following singly deuterated isotopologues of water: HD16O, HD17O, and HD18O were reported.
Abstract: This is the second of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents Preprint submitted to Journal of Quantitative Spectroscopy & Radiative Transfer10th June 2010 energy levels and line positions of the following singly deuterated isotopologues of water: HD16O, HD17O, and HD18O. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0–22 708, 0–1 674, and 0–12 105 cm−1 for HD16O, HD17O, and HD18O, respectively. For HD16O, 54 740 transitions were analyzed from 76 sources, the lines come from spectra recorded both at room temperature and from hot samples. These lines correspond to 36 690 distinct assignments and 8 818 energy levels. For HD17O, only 485 transitions could be analyzed from 3 sources; the lines correspond to 162 MARVEL energy levels. For HD18O, 8 729 transitions were analyzed from 11 sources and these lines correspond to 1 860 energy levels. The energy levels are checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators. This comparison shows that the measured transitions account for about 86 % of the anticipated absorbance of HD16O at 296 K and that the transitions predicted by the MARVEL energy levels account for essentially all the remaining absorbance. The extensive list of MARVEL lines and levels obtained are given in the Supplementary Material of this article, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved. In addition, the transition and energy level information for H2 17O and H2 18O, given in the first paper of this series [J. Quant. Spectr. Rad. Transfer 110 (2009) 573-596], has been updated. Key words: Water vapor, transition wavenumbers, atmospheric physics, energy levels, MARVEL, information system, database, W@DIS, infrared spectra, microwave spectra, HD16O, HD17O, HD18O

181 citations


Journal ArticleDOI
TL;DR: This review describes the scope of the VAMDC project and provides a survey of the atomic and molecular data sets that will be included plus a discussion of how they will be integrated.
Abstract: The Virtual Atomic and Molecular Data Centre (VAMDC, http://www.vamdc.eu) is a European Union funded collaboration between groups involved in the generation, evaluation, and use of atomic and molecular data. VAMDC aims to build a secure, documented, flexible and interoperable e-science environment-based interface to existing atomic and molecular data. The project will cover establishing the core consortium, the development and deployment of the infrastructure and the development of interfaces to the existing atomic and molecular databases. It will also provide a forum for training potential users and dissemination of expertise worldwide. This review describes the scope of the VAMDC project; it provides a survey of the atomic and molecular data sets that will be included plus a discussion of how they will be integrated. Some applications of these data are also discussed.

168 citations


Journal ArticleDOI
TL;DR: In this article, an exact vector (polarized) radiative transfer (VRT) model for coupled atmosphere and ocean systems is presented, which takes all the multiple scattering processes into account, including atmospheric scattering, oceanic scattering, reflection and transmission through the rough ocean surface.
Abstract: We report on an exact vector (polarized) radiative transfer (VRT) model for coupled atmosphere and ocean systems. This VRT model is based on the successive order of scattering (SOS) method, which virtually takes all the multiple scattering processes into account, including atmospheric scattering, oceanic scattering, reflection and transmission through the rough ocean surface. The isotropic Cox–Munk wave model is used to derive the ref and transmission matrices for the rough ocean surface. Shadowing effects are included by the shadowing function. We validated the SOS results by comparing them with those calculated by two independent codes based on the doubling/adding and Monte Carlo methods. Two error analyses related to the ocean color remote sensing are performed in the coupled atmosphere and ocean systems. One is the scalar error caused by ignoring the polarization in the whole system. The other is the error introduced by ignoring the polarization of the light transmitted through the ocean interface. Both errors are significant for the cases studied. This code fits for the next generation of ocean color study because it converges fast for absorbing medium as, for instance, ocean.

129 citations


Journal ArticleDOI
TL;DR: In this paper, brightness normalization was used to improve the performance of Partial Least Squares Regression (PLSR) under changing canopy and observing conditions, and the spectral data was combined with a canopy radiative transfer model to simulate effects of varying canopy structure and viewing geometry.
Abstract: Developed in the field of chemometrics, Partial Least Squares Regression (PLSR) has become an established technique in vegetation remote sensing. PLSR was primarily designed for laboratory analysis of prepared material samples. Under field conditions in vegetation remote sensing, the performance of the technique may be negatively affected by differences in brightness due to amount and orientation of plant tissues in canopies or the observing conditions. To minimize these effects, we introduced brightness normalization to the PLSR approach and tested whether this modification improves the performance under changing canopy and observing conditions. This test was carried out using high-fidelity spectral data (400–2510 nm) to model observed leaf chemistry. The spectral data was combined with a canopy radiative transfer model to simulate effects of varying canopy structure and viewing geometry. Brightness normalization enhanced the performance of PLSR by dampening the effects of canopy shade, thus providing a significant improvement in predictions of leaf chemistry (up to 3.6% additional explained variance in validation) compared to conventional PLSR. Little improvement was made on effects due to variable leaf area index, while minor improvement (mostly not significant) was observed for effects of variable viewing geometry. In general, brightness normalization increased the stability of model fits and regression coefficients for all canopy scenarios. Brightness-normalized PLSR is thus a promising approach for application on airborne and space-based imaging spectrometer data.

128 citations


Journal ArticleDOI
TL;DR: In this paper, seven vector radiative transfer codes are compared for the case of underlying black surface, including three techniques based on the discrete ordinate method (DOM), two Monte-Carlo methods, the successive orders scattering method, and a modified doubling-addressing technique.
Abstract: In this paper seven vector radiative transfer codes are inter-compared for the case of underlying black surface. They include three techniques based on the discrete ordinate method (DOM), two Monte-Carlo methods, the successive orders scattering method, and a modified doubling-adding technique. It was found that all codes give very similar results. Therefore, we were able to produce benchmark results for the Stokes parameters both for reflected and transmitted light in the cases of molecular, aerosol and cloudy multiply scattering media. It was assumed that the single scattering albedo is equal to one. Benchmark results have been provided by several studies before, including Coulson et al. [22], Garcia and Siewert [7,8], Wauben and Hovenier [10], and Natraj et al. [11] among others. However, the case of the elongated phase functions such as for a cloud and with a high angular resolution is presented here for the first time. Also in difference with other studies, we make inter-comparisons using several codes for the same input dataset, which enables us to quantify the corresponding errors more accurately.

126 citations


Journal ArticleDOI
TL;DR: In this article, two principal methods, spherical harmonics (P1) and the discrete ordinates method (DOM), are used to calculate radiation properties of gases in combusting flows, and the radiative properties of the gases are calculated using a non-gray gas full spectrum k-distribution method and a gray method.
Abstract: The exact solution to radiative heat transfer in combusting flows is not possible analytically due to the complex nature of the integro-differential radiative transfer equation (RTE). Many different approximate solution methods for the solution of the RTE in multi-dimensional problems are available. In this paper, two of the principal methods, the spherical harmonics (P1) and the discrete ordinates method (DOM) are used to calculate radiation. The radiative properties of the gases are calculated using a non-gray gas full spectrum k-distribution method and a gray method. Analysis of the effects of numerical quadrature in the DOM and its effect on computation time is performed. Results of different radiative property methods are compared with benchmark statistical narrow band (SNB) data for both cases that simulate air combustion and oxy-fuel combustion. For both cases, results of the non-gray full spectrum k-distribution method are in good agreement with the SNB data. In the case of oxy-fuel simulations with high partial pressures of carbon dioxide, use of gray method for the radiative properties may cause errors and should be avoided.

116 citations


Journal ArticleDOI
TL;DR: In this paper, an empirical solar spectrum covering the 700 to 4430 cm −1 spectral range has been constructed from an average of 224,782 individual ACE-FTS solar spectra.
Abstract: The ACE-FTS is a space-borne Fourier transform spectrometer onboard SCISAT-1. The satellite was launched in August 2003 and since February 2004 the ACE-FTS has been performing solar occultation measurements in order to infer the chemical composition of the terrestrial atmosphere. The individual spectra recorded at the highest limb tangent altitudes (above 160 km) are by definition “high sun” spectra and contain no atmospheric contribution. In this work, an empirical solar spectrum covering the 700 to 4430 cm −1 spectral range has been constructed from an average of 224,782 individual ACE-FTS solar spectra. Line assignments have been made for about 12,000 lines. The spectrum and two line lists are provided in the supplemental material attached to this work. Due to the excellent noise level achieved in the ACE-FTS solar atlas presented here, numerous weak absorption features are assigned which were not detectable in the ATMOS solar observations.

113 citations


Journal ArticleDOI
TL;DR: In this paper, a vector radiative transfer model is developed for a coupled atmosphere-ocean system, which is based on the discrete ordinate and matrix operator methods, and the simulation results show reasonable characteristics of the sun glint radiation such as the strongly peaked but slightly smoothed radiation by the rough ocean surface and depolarization through multiple scattering by the aerosol-loaded atmosphere.
Abstract: A vector radiative transfer model has been developed for a coupled atmosphere–ocean system. The radiative transfer scheme is based on the discrete ordinate and matrix operator methods. The reflection/transmission matrices and source vectors are obtained for each atmospheric or oceanic layer through the discrete ordinate solution. The vertically inhomogeneous system is constructed using the matrix operator method, which combines the radiative interaction between the layers. This radiative transfer scheme is flexible for a vertically inhomogeneous system including the oceanic layers as well as the ocean surface. Compared with the benchmark results, the computational error attributable to the radiative transfer scheme has been less than 0.1% in the case of eight discrete ordinate directions. Furthermore, increasing the number of discrete ordinate directions has produced computations with higher accuracy. Based on our radiative transfer scheme, simulations of sun glint radiation have been presented for wavelengths of 670 nm and 1.6 μm. Results of simulations have shown reasonable characteristics of the sun glint radiation such as the strongly peaked, but slightly smoothed radiation by the rough ocean surface and depolarization through multiple scattering by the aerosol-loaded atmosphere. The radiative transfer scheme of this paper has been implemented to the numerical model named Pstar as one of the OpenCLASTR/STAR radiative transfer code systems, which are widely applied to many radiative transfer problems, including the polarization effect.

Journal ArticleDOI
TL;DR: In this paper, the performance of various sun glint models with and without a wind direction dependence was evaluated over the open oceans using MODIS data at the near-infrared (NIR) and short-wave infrared (SWIR) bands.
Abstract: To understand the performance of various sun glint models, we have carried out comparison studies with measurements from Moderate Resolution Imaging Spectroradiometer (MODIS) for several popular sun glitter models, including the Cox–Munk models, Ebuchi–Kizu models, Breon–Henriot models, etc., over the open oceans using MODIS data at the near-infrared (NIR) (859 nm) and shortwave infrared (SWIR) bands (1240 and 2130 nm). Sun glint models with and without a wind direction dependence were evaluated. To obtain the MODIS-measured glint reflectance from the total reflectance at the top of the atmosphere, we performed atmospheric corrections to remove the effects of atmospheric absorption as well as radiance contributions from molecules (Rayleigh scattering) and aerosols. We have selected 12 MODIS sun glint scenes over various open ocean regions for this study. Our results indicate that overall, the Cox–Munk [1] model with the wind direction dependence has the best performance in terms of correlation coefficients with the MODIS measurements. The Breon–Henriot [8] model performed similarly as from the Cox–Munk model as two models are in fact very close. Findings from these evaluations can improve our ability to accurately remove the sun glint contamination in MODIS imagery and produce robust satellite ocean color and atmosphere products.

Journal ArticleDOI
TL;DR: In this article, a polarized atmospheric radiative transfer model for the computation of radiative transfers inside three-dimensional inhomogeneous mediums is described, which is based on Monte Carlo methods and takes into account the polarization state of the light.
Abstract: A polarized atmospheric radiative transfer model for the computation of radiative transfer inside three-dimensional inhomogeneous mediums is described. This code is based on Monte Carlo methods and takes into account the polarization state of the light. Specificities introduced by such consideration are presented. After validation of the model by comparisons with adding-doubling computations, examples of reflectances simulated from a synthetic inhomogeneous cirrus cloud are analyzed and compared with reflectances obtained with the classical assumption of a plane parallel homogeneous cloud (1D approximation). As polarized reflectance is known to saturate for optical thickness of about 3, one could think that they should be less sensitive to 3D effects than total reflectances. However, at high spatial resolution (80 m), values of polarized reflectances much higher than the ones predicted by the 1D theory can be reached. The study of the reflectances of a step cloud shows that these large values are the results of illumination and shadowing effects similar to those often observed on total reflectances. In addition, we show that for larger spatial resolution (10 km), the so-called plane-parallel bias leads to a non-negligible overestimation of the polarized reflectances of about 7–8%.

Journal ArticleDOI
TL;DR: In this article, the authors present an update of this package, based on the 2008 version of HITRAN, the latest currently available, and compare the calculated and measured absorption coefficients confirm the necessity of the update presented here and further demonstrate the importance of line mixing effects.
Abstract: In a previous series of papers, a model for the calculation of CO2-air absorption coefficients taking line-mixing into account and the corresponding database/software package were described and widely tested. In this study, we present an update of this package, based on the 2008 version of HITRAN, the latest currently available. The spectroscopic data for the seven most-abundant isotopologues are taken from HITRAN. When the HITRAN data are not complete up to J 00 =70, the data files are augmented with spectroscopic parameters from the CDSD-296 database and the high-temperature CDSD-1000 if necessary. Previously missing spectroscopic parameters, the air-induced pressure shifts and CO2 line broadening coefficients with H2O, have been added. The quality of this new database is demonstrated by comparisons of calculated absorptions and measurements using CO2 high-pressure laboratory spectra in the 1.5–2.3mm region. The influence of the imperfections and inaccuracies of the spectroscopic parameters from the 2000 version of HITRAN is clearly shown as a big improvement of the residuals is observed by using the new database. The very good agreements between calculated and measured absorption coefficients confirm the necessity of the update presented here and further demonstrate the importance of line-mixing effects, especially for the high pressures investigated here. The application of the updated database/software package to atmospheric spectra should result in an increased accuracy in the retrieval of CO2 atmospheric amounts. This opens improved perspectives for the space-borne detection of carbon dioxide sources and sinks.

Journal ArticleDOI
TL;DR: In this article, a high-resolution FTIR spectrometer (Bruker IFS 125/HR) was used to measure infrared cross-sections for pure ethane gas from spectra recorded at 0.004 cm −1 resolution and for mixtures with dry synthetic air from the Pacific Northwest National Laboratory (PNNL) IR database.
Abstract: Infrared absorption cross sections for ethane have been measured in the 3 μm spectral region from spectra recorded using a high-resolution FTIR spectrometer (Bruker IFS 125/HR). Results are presented for pure ethane gas from spectra recorded at 0.004 cm −1 resolution and for mixtures with dry synthetic air from spectra obtained at 0.015 cm −1 resolution (calculated as 0.9/MOPD using the Bruker definition of resolution), at a number of temperatures and pressures appropriate for atmospheric conditions. Intensities were calibrated using three ethane spectra (recorded at 278, 293, and 323 K) taken from the Pacific Northwest National Laboratory (PNNL) IR database.

Journal ArticleDOI
TL;DR: In this article, the radiative properties of extruded polystyrene foams (XPS) were predicted using morphological data and optical properties of bulk medium, and a particular attention was paid on the modelling of struts, which are located at the junctions between cell walls.
Abstract: The radiative properties of extruded polystyrene foams (XPS) were predicted using morphological data and optical properties of bulk medium. A particular attention was paid on the modelling of the radiative properties of struts, which are located at the junctions between cell walls. The radiative properties of XPS foams were determined by adding the contributions of each particle (walls and struts) using the independent scattering hypothesis. Hemispherical reflectance and transmittance measurements were made in addition to total thermal conductivity measurements. Comparisons were made between theoretical and experimental results and some improvements were suggested to better improve modelling of foam radiative properties.

Journal ArticleDOI
TL;DR: In this paper, the authors presented a new apparatus for measuring the complete scattering matrix as a function of the scattering angle of dust irregular particles, which is based on the well-known apparatus located in Amsterdam, The Netherlands.
Abstract: We present a new apparatus for measuring the complete scattering matrix as a function of the scattering angle of dust irregular particles. The design is based on the well-known apparatus located in Amsterdam, The Netherlands. In this improved version we have extended the scattering angle ranging from 3° to 177°. Moreover, the measurements are performed with a tunable argon–krypton laser that emit at a wavelength ( λ ) of 483, 488, 520, 568, or 647 nm. The apparatus has been developed at the Instituto de Astrofisica de Andalucia (IAA), Granada, Spain. To measure the scattering matrix elements we use a number of different optical components such as polarizers, a quarter-wave plate, and an electro-optic modulator. These components are used to manipulate the polarization state of light. By using eight different combinations for the orientation angles of the optical components, all scattering matrix elements are obtained as functions of the scattering angle. The accuracy of the instrument is tested by comparing the measured scattering matrices of water droplets at 488, 520, and 647 nm with Lorenz–Mie calculations for a distribution of homogeneous water droplets.

Journal ArticleDOI
TL;DR: In this paper, a methane spectral line list for the 5550-6236 cm −1 range with the intensity cut off 4×10 −26 cm/molecule at 296 K was presented.
Abstract: A methane spectral line list for the 5550–6236 cm −1 range with the intensity cut off 4×10 −26 cm/molecule at 296 K is presented. The line list is based on new extensive measurements of methane spectral line parameters performed at different temperatures and pressures of methane and buffer gases N 2 , O 2 and air. This spectral line list is prepared in HITRAN-2008 format and contains the following spectral line parameters of about 11,000 lines: position, intensity, energy for lower state (where possible), air-broadening and air-shifting coefficients, exponent of temperature dependence of air-broadening coefficient and self-broadening coefficient.

Journal ArticleDOI
TL;DR: In this article, the authors used the full duration of collocated pixel-level MODIS-Terra and MISR aerosol optical thickness (AOT) retrievals and level 2 cloud-screened quality-assured AERONET measurements to evaluate the likely individual MISR retrieval accuracies globally over oceans and land.
Abstract: We use the full duration of collocated pixel-level MODIS-Terra and MISR aerosol optical thickness (AOT) retrievals and level 2 cloud-screened quality-assured AERONET measurements to evaluate the likely individual MODIS and MISR retrieval accuracies globally over oceans and land. We show that the use of quality-assured MODIS AOTs as opposed to the use of all MODIS AOTs has little effect on the resulting accuracy. The MODIS and MISR relative standard deviations (RSTDs) with respect to AERONET are remarkably stable over the entire measurement record and reveal nearly identical overall AOT performances of MODIS and MISR over the entire suite of AERONET sites. This result is used to evaluate the likely pixel-level MODIS and MISR performances on the global basis with respect to the (unknown) actual AOTs. For this purpose, we use only fully compatible MISR and MODIS aerosol pixels. We conclude that the likely RSTDs for this subset of MODIS and MISR AOTs are ∼73% over land and ∼30% over oceans. The average RSTDs for the combined [AOT(MODIS)+AOT(MISR)]/2 pixel-level product are close to 66% and 27%, respectively, which allows us to recommend this simple blend as a better alternative to the original MODIS and MISR data. These accuracy estimates still do not represent the totality of MISR and quality-assured MODIS pixel-level AOTs since an unaccounted for and potentially significant source of errors is imperfect cloud screening. Furthermore, many collocated pixels for which one of the datasets reports a retrieval, whereas the other one does not may also be problematic.

Journal ArticleDOI
TL;DR: In this paper, a vector radiative transfer model (PCOART) was developed for the coupled ocean-atmosphere system, using the matrix operator (or adding-doubling) method, which considers the rough sea-surface.
Abstract: A vector radiative transfer model termed PCOART has been developed for the coupled ocean–atmosphere system, using the matrix-operator (or adding-doubling) method, which considers the rough sea-surface. The theoretical formulations of the solution of the vector radiative transfer equation of the coupled ocean–atmosphere system, and the reflection–transmission matrices and internal radiation sources for rough sea surface are described. The model intercomparison is performed for several radiative transfer problems in the atmosphere and ocean, and the results show that PCOART can exactly predict the radiance fields for both flat and rough sea surface. Also, the polarizing remote sensing data from POLDER is used to test the capacity of PCOART to simulate the polarization radiance at the top-of-atmosphere, which shows that PCOART can perfectly reproduce the linear polarization reflectance measured by POLDER. PCOART can not only simulate the total radiance field in the coupled ocean–atmosphere system with wind-induced rough sea surface but also predict the polarization radiance field both in the atmosphere and in the ocean, which can serve as a good tool for the ocean optics and ocean color remote sensing communities.

Journal ArticleDOI
TL;DR: In this article, a new, accurate, global, mass-independent, first-principles potential energy surface (PES) is presented for the ground electronic state of the water molecule, based on 2200 energy points computed at the allelectron aug-cc-pCV6Z IC-MRCI(8,2) level of electronic structure theory.
Abstract: A new, accurate, global, mass-independent, first-principles potential energy surface (PES) is presented for the ground electronic state of the water molecule. The PES is based on 2200 energy points computed at the all-electron aug-cc-pCV6Z IC-MRCI(8,2) level of electronic structure theory and includes the relativistic one-electron mass-velocity and Darwin corrections. For H2 16O, the PES has a dissociation energy of D0 = 41 109 cm−1 and supports 1150 vibrational energy levels up to 41 083 cm−1. The deviation between the computed and the experimentally measured energy levels is below 15 cm−1 for all the states with energies less than 39 000 cm−1. Characterization of approximate vibrational quantum numbers is performed using several techniques: energy decomposition, wave function plots, normal mode distribution, expectation values of the squares of internal coordinates, and perturbing the bending part of the PES. Vibrational normal mode labels, though often not physically meaningful, have been assigned to all the states below 26 500 cm−1 and to many more above it, including some highly excited stretching states all the way to dissociation. Issues to do with calculating vibrational band intensities for the higher-lying states are discussed.

Journal ArticleDOI
TL;DR: In this article, the spatial averaging theorem is applied to rigorously derive continuum-scale equations of radiative transfer in two-phase media consisting of arbitrary-type phases in the limit of geometrical optics.
Abstract: The spatial averaging theorem is applied to rigorously derive continuum-scale equations of radiative transfer in two-phase media consisting of arbitrary-type phases in the limit of geometrical optics. The derivations are based on the equations of radiative transfer and the corresponding boundary conditions applied at the discrete-scale to each phase, and on the discrete-scale radiative properties of each phase and the interface between the phases. The derivations confirm that radiative transfer in two-phase media consisting of arbitrary-type phases in the range of geometrical optics can be modeled by a set of two continuum-scale equations of radiative transfer describing the variation of the average intensities associated with each phase. Finally, a Monte Carlo based methodology for the determination of average radiative properties is discussed in the light of previous pertinent studies.

Journal ArticleDOI
TL;DR: Advances made in solving the forward model for light propagation based on the radiative transfer equation, in reconstructing scattering and absorption cross sections of tissue, and in molecular imaging of luminescent sources are discussed.
Abstract: This note serves as an introduction to two papers by Klose et al. [2] , [3] and provides a brief review of the latest developments in optical tomography of scattering tissue. We discuss advancements made in solving the forward model for light propagation based on the radiative transfer equation, in reconstructing scattering and absorption cross sections of tissue, and in molecular imaging of luminescent sources.

Journal ArticleDOI
TL;DR: In this article, the authors provide a reference guide for studies focused at modeling the radiation transport and interpreting data from high frequency space-borne radar systems that probe highly opaque scattering media such as thick ice clouds or precipitating clouds.
Abstract: Although extensively studied within the lidar community, the multiple scattering phenomenon has always been considered a rare curiosity by radar meteorologists. Up to few years ago its appearance has only been associated with two- or three-body-scattering features (e.g. hail flares and mirror images) involving highly reflective surfaces. Recent atmospheric research aimed at better understanding of the water cycle and the role played by clouds and precipitation in affecting the Earth's climate has driven the deployment of high frequency radars in space. Examples are the TRMM 13.5 GHz, the CloudSat 94 GHz, the upcoming EarthCARE 94 GHz, and the GPM dual 13-35 GHz radars. These systems are able to detect the vertical distribution of hydrometeors and thus provide crucial feedbacks for radiation and climate studies. The shift towards higher frequencies increases the sensitivity to hydrometeors, improves the spatial resolution and reduces the size and weight of the radar systems. On the other hand, higher frequency radars are affected by stronger extinction, especially in the presence of large precipitating particles (e.g. raindrops or hail particles), which may eventually drive the signal below the minimum detection threshold. In such circumstances the interpretation of the radar equation via the single scattering approximation may be problematic. Errors will be large when the radiation emitted from the radar after interacting more than once with the medium still contributes substantially to the received power. This is the case if the transport mean-free-path becomes comparable with the instrument footprint (determined by the antenna beam-width and the platform altitude). This situation resembles to what has already been experienced in lidar observations, but with a predominance of wide- versus small-angle scattering events. At millimeter wavelengths, hydrometeors diffuse radiation rather isotropically compared to the visible or near infrared region where scattering is predominantly in the forward direction. A complete understanding of radiation transport modeling and data analysis methods under wide-angle multiple scattering conditions is mandatory for a correct interpretation of echoes observed by space-borne millimeter radars. This paper reviews the status of research in this field. Different numerical techniques currently implemented to account for higher order scattering are reviewed and their weaknesses and strengths highlighted. Examples of simulated radar backscattering profiles are provided with particular emphasis given to situations in which the multiple scattering contributions become comparable or overwhelm the single scattering signal. We show evidences of multiple scattering effects from air-borne and from CloudSat observations, i.e. unique signatures which cannot be explained by single scattering theory. Ideas how to identify and tackle the multiple scattering effects are discussed. Finally perspectives and suggestions for future work are outlined. This work represents a reference-guide for studies focused at modeling the radiation transport and at interpreting data from high frequency space-borne radar systems that probe highly opaque scattering media such as thick ice clouds or precipitating clouds.

Journal ArticleDOI
TL;DR: In this article, the authors quantify a J-dependent quadratic deviation from a standard model of the rotational distribution of the line intensities and derive the line intensity from a weighted fit of the generalized model to an ensemble of data and agree with their measured values to within 0.1% on average, with a relative standard deviation of ≈ 0.3%.
Abstract: Numerous satellite and ground-based remote sensing measurements rely on the ability to calculate O_2 A-band [b^1Σ_g^+←X^3Σ_g^−(0,0)] spectra from line parameters, with combined relative uncertainties below 0.5% required for the most demanding applications. In this work, we combine new ^(16)O_2 A-band R-branch measurements with our previous P-branch observations, both of which are based upon frequency-stabilized cavity ring-down spectroscopy. The combined set of data spans angular momentum quantum number, J′ up to 46. For these measurements, we quantify a J-dependent quadratic deviation from a standard model of the rotational distribution of the line intensities. We provide calculated transition wave numbers, and intensities for J′ up to 60. The calculated line intensities are derived from a weighted fit of the generalized model to an ensemble of data and agree with our measured values to within 0.1% on average, with a relative standard deviation of ≈0.3%. We identify an error in the calculated frequency dependence of the O_2 A-band line intensities in existing spectroscopic databases. Other reported lineshape parameters include a revised set of ground-state energies, self- and air-pressure-broadening coefficients and self- and air-Dicke-narrowing coefficients. We also report a band-integrated intensity at 296 K of 2.231(7)×10^(−22) cm molec^(−1) and Einstein-A coefficient of 0.0869(3) s^(−1).

Journal ArticleDOI
TL;DR: In this paper, Tikhonov regularization based on a Laplacian smoothing matrix was used to solve the resulting limited data tomography problem, and provided superior reconstructions for Gaussian phantoms compared to modified Landweber reconstruction.
Abstract: Optical tomography based on infrared laser light absorption is a promising approach for making spatially- and temporally-resolved fuel concentration measurements within combustion devices, but limited optical access often restricts both the number of laser beams and their arrangement. This paper demonstrates how Tikhonov regularization based on a Laplacian smoothing matrix can solve the resulting limited data tomography problem, and provides superior reconstructions for Gaussian phantoms compared to modified Landweber reconstruction.

Journal ArticleDOI
TL;DR: In this paper, a Ray-tracing method for calculating effective radiative properties of densely packed spheres in a non-absorbing or semitransparent host medium is presented, which is restricted to the geometric optic objects and neglects the wave effects.
Abstract: This contribution presents a new Ray-tracing method for calculating effective radiative properties of densely packed spheres in non-absorbing or semitransparent host medium. The method is restricted to the geometric optic objects and neglects the wave effects. The effective radiative properties such as the absorption and scattering coefficients, and phase function are retrieved from the calculation of mean-free paths of scattering and absorption, and the angular scattering probability of radiation propagating in the dispersed medium. The model accounts for the two geometric effects called here as non-point scattering and ray transportation effects. The successful comparison of the current model with data of radiative properties and transmittances of particle beds in a non-absorbing medium reported in the literature confirm its suitability. It is shown that: (i) for opaque or absorbing particles (not systematically opaque), the non-point scattering is the dominant geometric effects whereas both non-point scattering and ray transportation effects occur for weakly absorbing and transparent particles. In the later cases, these two geometric effects oppose and may cancel out. This may explain why the Independent scattering theory works well for packed of quasi-transparent particles; (ii) the non-point scattering and ray transportation effects can be captured through the scattering and absorption coefficients while using the classical form of phase function. This enables using the standard radiative transfer equation (RTE); (iii) the surrounding medium absorption can be accounted for without any homogenization rule. It contributes to increasing the effective absorption coefficient of the composite medium as expected but, at the same time, it reduces the particle extinction; and (iv) the current transfer calculation predicts remarkably the results of direct Monte Carlo (MC) simulation. This study tends therefore to confirm that the RTE can be applied to densely packed media by using effective radiative properties.

Journal ArticleDOI
TL;DR: In this paper, the angular and spectral dependencies of the intensity and polarization of the reflection were analyzed using airborne photopolarimetric data from the research scanning polarimeter (RSP) and it was shown that the modeled total and polarized reflectances can be expressed in the same form both for soil and vegetation surfaces.
Abstract: The reflection properties of soil and vegetation surfaces have been investigated using airborne photopolarimetric data from the research scanning polarimeter (RSP). For both surface types, it was found that the ratios of total reflectances taken at two different wavelengths from visible and short-wave infrared channels are the same for different illumination and scattering geometries, and in general independent of the scattering angle. From an analysis of the angular and spectral dependencies of the intensity and polarization, we show that the modeled total and polarized reflectances can be expressed in the same form both for soil and vegetation surfaces, namely, as the product of geometrical scattering term depending only on illumination and viewing angles, and a term that varies solely with wavelength and scattering angle.

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TL;DR: In this article, a review of the T-matrix computations of light scattering by nonspherical particles is presented, along with a short introduction to the reprint of the original article.
Abstract: This note serves as a short introduction to the reprint of our article "T-matrix computations of light scattering by nonspherical particles: a review" (JQSRT 1996; 55:535:75). We first discuss the motivation for writing that article and explain its historical context. This is followed by a short overview of more recent developments.

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TL;DR: Achterberg et al. as discussed by the authors proposed an approach to analyze the properties of the spectral properties of a given set of molecules in terms of their properties in the presence of certain properties.
Abstract: A. Coustenis, R. K. Achterberg, B. J. Conrath {\em et al.\/M. Oldani, M. Andrist, A. Bauder and A. G. Robiette, {\em J. Mol. Spectrosc.\/E. H. Wishnow, G. S. Orton, I. Ozier and H. P. Gush, {\em J. Quant. Spectrosc. Radiat. Transfer\/