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NASA NTRS2020

Exploring the Limits of the Data-Model-Theory Synergy: “Hot” MW Transitions for Rovibrational IR Studies

In order to further improve the accuracy of rovibrational IR line lists generated from the “Best Theory +Reliable High-resolution Experiment” (BTRHE) strategy from 0.01-0.05 cm-1, or 300-1500 MHz, to ~10 MHz, we explore the current limits of the Data-Model-Theory synergy by examining the accuracy and consistency of existing data, then propose that “hot” bands in microwave (MW) spectra is the solution we need for future enhancements. The Ames SO2 J=0-20 rovibrational energy levels computed on the semi-empirically refined Ames-2 potential energy surface (PES) are fit to the Effective Hamiltonian (EH) model regularly used in the experimental infrared (IR) analysis for SO2 isotopologues. In the fitted EH(Ames) model, the rotational constants A/B/C and all 5 quartic centrifugal distortion constants display clear, systematic, and consistent patterns along the vibrational state energy or quanta. Such consistent patterns may facilitate the vibrational assignments for MW hot bands and extract more information from high temperature MW spectra. Some EH(Expt) analyses were carried out with the lowest order Coriolis Coupling term, C1. Their constants should not be directly compared with other EH(Expt) and EH(Ames) results. After excluding them, our  = EH(Ames)- EH(Expt) analyses for 5 isotopologues (626, 636, 646, 628 and 828) indicates some loss of accuracy and consistency starting from vibrational states as low as 22 or 1000 cm-1. Some EH parameters, e.g. K, may have relative deviations as large as 50-100% and totally lose any recognizable patterns. This simply means that current EH(Expt) models do not have the system-wide consistency we need to further refine the EH(Ames) and Ames rovibrational IR line lists. A large part of such defects are probably inherited from the limited precision of experimental line positions, i.e. 1E-3 ~ 1E-4 cm-1, or 3-30 MHz. This is confirmed in a series of truncation tests using the Ames data. Although the EH(Ames) consistency may help identify unreliable rovibrational EH(Expt) parameters, and make reliable predictions for minor isotopologues and unobserved vibrational bands, we believe only the highly accurate “hot” MW transitions can provide real enhancements for EH(Expt) accuracy and consistency. “Hot” MW spectra should play a more significant role in the future synergy of Data, Model, and Theory in the field of rovibrational IR studies.

Xinchuan Huang↗

NASA NTRS2017

Evaluation of Satellite Remote Sensing Albedo Retrievals over the Ablation Area of the Southwestern Greenland Ice Sheet

MODerate resolution Imaging Spectroradiometer (MODIS) albedo products have been validated over spatially uniform, snow-covered areas of the Greenland ice sheet (GrIS) using the so-called single 'point-to-pixel' method. This study expands on this methodology by applying a 'multiple-point-to-pixel' method and examination of spatial autocorrelation (here using semivariogram analysis) by using in situ observations, high-resolution World- View-2 (WV-2) surface reflectances, and MODIS Collection V006 daily blue-sky albedo over a spatially heterogeneous surfaces in the lower ablation zone in southwest Greenland. Our results using 232 ground-based samples within two MODIS pixels, one being more spatial heterogeneous than the other, show little difference in accuracy among narrow and broad band albedos (except for Band 2). Within the more homogenous pixel area, in situ and MODIS albedos were very close (error varied from −4% to +7%) and within the range of ASD standard errors. The semivariogram analysis revealed that the minimum observational footprint needed for a spatially representative sample is 30 m. In contrast, over the more spatially heterogeneous surface pixel, a minimum footprint size was not quantifiable due to spatial autocorrelation, and far exceeds the effective resolution of the MODIS retrievals. Over the high spatial heterogeneity surface pixel, MODIS is lower than ground measurements by 4-7%, partly due to a known in situ undersampling of darker surfaces that often are impassable by foot (e.g., meltwater features and shadowing effects over crevasses). Despite the sampling issue, our analysis errors are very close to the stated general accuracy of the MODIS product of 5%. Thus, our study suggests that the MODIS albedo product performs well in a very heterogeneous, low-albedo, area of the ice sheet ablation zone. Furthermore, we demonstrate that single 'point-to-pixel' methods alone are insufficient in characterizing and validating the variation of surface albedo displayed in the lower ablation area. This is true because the distribution of in situ data deviations from MODIS albedo show a substantial range, with the average values for the 10th and 90th percentiles being −0.30 and 0.43 across all bands. Thus, if only single point is taken for ground validation, and is randomly selected from either distribution tails, the error would appear to be considerable. Given the need for multiple in-situ points, concurrent albedo measurements derived from existing AWSs, (low-flying vehicles (airborne or unmanned) and high-resolution imagery (WV-2)) are needed to resolve high sub-pixel variability in the ablation zone, and thus, further improve our characterization of Greenland's surface albedo.

Ablation zone↗

NASA NTRS2016

Derivation and Validation of Supraglacial Lake Volumes on the Greenland Ice Sheet from High-Resolution Satellite Imagery

Supraglacial meltwater lakes on the western Greenland Ice Sheet (GrIS) are critical components of its surface hydrology and surface mass balance, and they also affect its ice dynamics. Estimates of lake volume, however, are limited by the availability of in situ measurements of water depth,which in turn also limits the assessment of remotely sensed lake depths. Given the logistical difficulty of collecting physical bathymetric measurements, methods relying upon in situ data are generally restricted to small areas and thus their application to largescale studies is difficult to validate. Here, we produce and validate spaceborne estimates of supraglacial lake volumes across a relatively large area (1250 km(exp 2) of west Greenland's ablation region using data acquired by the WorldView-2 (WV-2) sensor, making use of both its stereo-imaging capability and its meter-scale resolution. We employ spectrally-derived depth retrieval models, which are either based on absolute reflectance (single-channel model) or a ratio of spectral reflectances in two bands (dual-channel model). These models are calibrated by usingWV-2multispectral imagery acquired early in the melt season and depth measurements from a high resolutionWV-2 DEM over the same lake basins when devoid of water. The calibrated models are then validated with different lakes in the area, for which we determined depths. Lake depth estimates based on measurements recorded in WV-2's blue (450-510 nm), green (510-580 nm), and red (630-690 nm) bands and dual-channel modes (blue/green, blue/red, and green/red band combinations) had near-zero bias, an average root-mean-squared deviation of 0.4 m (relative to post-drainage DEMs), and an average volumetric error of b1%. The approach outlined in this study - image-based calibration of depth-retrieval models - significantly improves spaceborne supraglacial bathymetry retrievals, which are completely independent from in situ measurements.

Spectrally-based depth-retrieval models↗

NASA NTRS2000

Computer Simulations of Small Molecules in Membranes: Insights from Computer Simulations into the Interactions of Small Molecules with Lipid Bilayers

Two of Ernest Overton's lasting contributions to biology are the Meyer-Overton relationship between the potency of an anesthetic and its solubility in oil, and the Overton rule which relates the permeability of a membrane to the oil-water partition coefficient of the permeating molecule. A growing body of experimental evidence, however, cannot be reconciled with these theories. In particular, the molecular nature of membranes, unknown to Overton, needs to be included in any description of these phenomena. Computer simulations are ideally suited for providing atomic-level information about the behavior of small molecules in membranes. The authors discuss simulation studies relevant to Overton's ideas. Through simulations it was found that anesthetics tend to concentrate at interfaces and their anesthetic potency correlates better with solubility at the water-membrane interface than with solubility in oil. Simulation studies of membrane permeation revealed the anisotropic nature of the membranes, as evidenced, for example, by the highly nonuniform distribution of free volume in the bilayer. This, in turn, influences the diffusion rates of solutes, which increase with the depth in the membrane. Small solutes tend to move by hopping between voids in the bilayer, and this hopping motion may be responsible for the deviation from the Overton rule of the permeation rates of these molecules.

Pohorille, Andrew↗

NASA NTRS2008

Hard-X-Ray/Soft-Gamma-Ray Imaging Sensor Assembly for Astronomy

An improved sensor assembly has been developed for astronomical imaging at photon energies ranging from 1 to 100 keV. The assembly includes a thallium-doped cesium iodide scintillator divided into pixels and coupled to an array of high-gain avalanche photodiodes (APDs). Optionally, the array of APDs can be operated without the scintillator to detect photons at energies below 15 keV. The array of APDs is connected to compact electronic readout circuitry that includes, among other things, 64 independent channels for detection of photons in various energy ranges, up to a maximum energy of 100 keV, at a count rate up to 3 kHz. The readout signals are digitized and processed by imaging software that performs "on-the-fly" analysis. The sensor assembly has been integrated into an imaging spectrometer, along with a pair of coded apertures (Fresnel zone plates) that are used in conjunction with the pixel layout to implement a shadow-masking technique to obtain relatively high spatial resolution without having to use extremely small pixels. Angular resolutions of about 20 arc-seconds have been measured. Thus, for example, the imaging spectrometer can be used to (1) determine both the energy spectrum of a distant x-ray source and the angular deviation of the source from the nominal line of sight of an x-ray telescope in which the spectrometer is mounted or (2) study the spatial and temporal development of solar flares, repeating - ray bursters, and other phenomena that emit transient radiation in the hard-x-ray/soft- -ray region of the electromagnetic spectrum.

Myers, Richard A.↗

NASA NTRS2012

Public Perception of Climate Change and the New Climate Dice

"Climate dice", describing the chance of unusually warm or cool seasons, have become more and more "loaded" in the past 30 years, coincident with rapid global warming. The distribution of seasonal mean temperature anomalies has shifted toward higher temperatures and the range of anomalies has increased. An important change is the emergence of a category of summertime extremely hot outliers, more than three standard deviations (3 sigma) warmer than the climatology of the 1951-1980 base period. This hot extreme, which covered much less than 1% of Earth's surface during the base period, now typically covers about 10% of the land area. It follows that we can state, with a high degree of confidence, that extreme anomalies such as those in Texas and Oklahoma in 2011 and Moscow in 2010 were a consequence of global warming, because their likelihood in the absence of global warming was exceedingly small. We discuss practical implications of this substantial, growing, climate change.

Hansen, James↗

NASA NTRS1993

The near-infrared Tully-Fisher relation - A preliminary study of the Coma and Abell 400 clusters

We have started a large project to study the NIR Tully-Fisher (TF) relation using H- and I-band surface photometry of spiral galaxies. A preliminary study of 20 spirals in the Coma and Abell 400 clusters is presented. The NIR images have been used to derive accurate inclinations and total magnitudes, and rotational linewidths are measured from high-quality 21-cm Arecibo data. The scatter in the Coma TF plot is found to be 0.19 mag in the H band and 0.20 mag in the I band for a set of 13 galaxies, if we assume that they are all at the same distance. The deviation of the Coma galaxies from the best-fit Tully-Fisher relation is correlated with their redshift, indicating that some of the galaxies are not bound to the cluster. Indeed, if we treat all the galaxies in the Coma sample as undergoing free Hubble expansion, the TF scatter drops to 0.12 and 0.13 mag for the H- and I-band datasets, respectively. The Abell 400 sample is best fit by a common distance model, yielding a scatter of 0.12 mag for seven galaxies in H using a fixed TF slope. We are in the process of studying cluster and field spirals out to about 10,000 km/s in order to calibrate the NIR TF relation and will apply it to more nearby galaxies to measure the peculiar velocity field in the local universe.

Guhathakurta, Puragra↗

NASA NTRS1995

Carbon isotopic analysis of atmospheric methane by isotope-ratio-monitoring gas chromatography-mass spectrometry

Less than 15 min are required for the determination of delta C(sub PDB)-13 with a precision of 0.2 ppt(1 sigma, single measurement) in 5-mL samples of air containing CH4 at natural levels (1.7 ppm). An analytical system including a sample-introduction unit incorporating a preparative gas chromatograph (GC) column for separation of CH4 from N2, O2, and Ar is described. The 15-min procedure includes time for operation of that system, high-resolution chromatographic separation of the CH4, on-line combustion and purification of the products, and isotopic calibration. Analyses of standards demonstrate that systematic errors are absent and that there is no dependence of observed values of delta on sample size. For samples containing 100 ppm or more CH4, preconcentration is not required and the analysis time is less than 5 min. The system utilizes a commercially available, high-sensitivity isotope-ratio mass spectrometer. For optimal conditions of smaple handling and combustion, performance of the system is within a factor of 2 of the shot-noise limit. The potential exists therefore for analysis of samples as small as 15 pmol CH4 with a standard deviation of less than 1 ppt.

Merritt, Dawn A.↗

NASA NTRS2001

Effects of Above Real Time Training (ARTT) On Individual Skills and Contributions to Crew/Team Performance

Above Real Time Training (ARTT) is the training acquired on a real time simulator when it is modified to present events at a faster pace than normal. The experiments on training of pilots performed by NASA engineers and others have indicated that real time training (RTT) reinforced with ARTT would offer an effective training strategy for such tasks which require significant effort at time and workload management. A study was conducted to find how ARTT and RTT complement each other for training of novice pilot-navigator teams to fly on a required route. In the experiment, each of the participating pilot-navigator teams was required to conduct simulator flights on a prescribed two-legged ground track while maintaining required air speed and altitude. At any instant in a flight, the distance between the actual spatial point location of the airplane and the required spatial point was used as a measure of deviation from the required route. A smaller deviation represented better performance. Over a segment of flight or over complete flight, an average value of the deviation represented consolidated performance. The deviations were computed from the information on latitude, longitude, and altitude. In the combined ARTT and RTT program, ARTT at intermediate training intervals was beneficial in improving the real time performance of the trainees. It was observed that the team interaction between pilot and navigator resulted in maintaining high motivation and active participation throughout the training program.

Ali, Syed Firasat↗

NASA NTRS2003

The Attitude Control System for the Wilkinson Microwave Anisotropy Probe

The Wilkinson Microwave Anisotropy Probe mission produces a map of the cosmic microwave background radiation over the entire celestial sphere by executing a fast spin and a slow precession of its spin axis about the Sun line to obtain a highly interconnected set of measurements. The spacecraft attitude is sensed and controlled using an inertial reference unit, two star trackers, a digital sun sensor, twelve coarse sun sensors, three reaction wheel assemblies, and a propulsion system. Sufficient attitude knowledge is provided to yield instrument pointing to a standard deviation (l sigma) of 1.3 arc-minutes per axis. In addition, the spacecraft acquires and holds the sunline at initial acquisition and in the event of a failure, and slews to the proper orbit adjust orientations and to the proper off-sunline attitude to start the compound spin. This paper presents an overview of the design of the attitude control system to carry out this mission and presents some early flight experience.

Markley, F. Landis↗

NASA NTRS2021

Airborne and Ground-Based Measurements of Aerosol Optical Depth of Freshly Emitted Anthropogenic Plumes in the Athabasca Oil Sands Region

In this work we report the airborne aerosol optical depth (AOD) from measurements within freshly emitted anthropogenic plumes arising from mining and processing operations in the Athabasca Oil Sands Region (AOSR) in the context of ground-based AERONET climatological daily averaged AODs at Fort McMurray (Alberta, Canada). During two flights on 9 and 18 June 2018, the NASA airborne 4STAR (Spectrometers for Sky-Scanning, Sun-Tracking Atmospheric Research) Sun photometer registered high fine-mode (FM, <1 µm) in-plume AODs of up to 0.4 and 0.9, respectively, in the vicinity of the plume source (<20 km). Particle composition shows that the plumes were associated with elevated concentrations of sulfates and ammonium. These high AODs significantly exceed climatological averages for June and were not captured by the nearby AERONET instrument (mean daily AODs of 0.10±0.01 and 0.07±0.02, maximum AOD of 0.12) due possibly to horizontal inhomogeneity of the plumes, plume dilution and winds which in certain cases were carrying the plume away from the ground-based instrument. The average 4STAR out-of-plume (background) AODs deviated only marginally from AERONET daily averaged values. While 4STAR AOD peaks were generally well correlated in time with peaks in the in situ-measured particle concentrations, we show that differences in particle size are the dominant factor in determining the 4STAR-derived AOD. During the two flights of 24 June and 5 July 2018 when plumes likely travelled distances of 60 km or more, the average 4STAR FM AOD increased by 0.01–0.02 over ∼50 km of downwind particle evolution, which was supported by the increases in layer AODs calculated from the in situ extinction measurements. Based on these observations as well as the increases in organic mass, we attribute the observed AOD increase, at least in part, to secondary organic aerosol formation. The in-plume and out-of-plume AODs for this second pair of flights, in contrast to clear differences in in situ optical and other measurements, were practically indistinguishable and compared favourably to AERONET within 0.01–0.02 AOD. This means that AERONET was generally successful in capturing the background AODs, but missed some of the spatially constrained high-AOD plumes with sources as close as 30–50 km, which is important to note since the AERONET measurements are generally thought to be representative of the regional AOD loading. The fact that industrial plumes can be associated with significantly higher AODs in the vicinity of the emission sources than previously reported from AERONET can potentially have an effect on estimating the AOSR radiative impact.

AERONET↗

NASA NTRS1982

Conversion and matched filter approximations for serial minimum-shift keyed modulation

Serial minimum-shift keyed (MSK) modulation, a technique for generating and detecting MSK using series filtering, is ideally suited for high data rate applications provided the required conversion and matched filters can be closely approximated. Low-pass implementations of these filters as parallel inphase- and quadrature-mixer structures are characterized in this paper in terms of signal-to-noise ratio (SNR) degradation from ideal and envelope deviation. Several hardware implementation techniques utilizing microwave devices or lumped elements are presented. Optimization of parameter values results in realizations whose SNR degradation is less than 0.5 dB at error probabilities of .000001.

Ziemer, R. E.↗

NASA NTRS1990

Aircraft microwave observations and simulations of deep convection from 18 to 183 GHz. I - Observations

Aircraft passive microwave observations of deep atmospheric convection at frequencies between 18 and 183 GHz are presented in conjunction with visible and infrared satellite and aircraft observations and ground-based radar observations. Deep convective cores are indicated in the microwave data by negative brightness temperature, T/(B) deviations from the land background (270 K) to extreme T(B) values below 100 K at 37, 92, and 183 GHz and below 200 K at 18 GHz. These T(B) minima, due to scattering by ice held aloft by the intense updrafts, are well correlated with areas of high radar reflectivity. For this land background case, T(B) is inversely correlated with rain rate at all frequencies due to T(B)-ice-rain correlations. Mean Delta-T between vertically polarized and horizontally polarized radiance in precipitation areas is approximately 6 K at both 18 GHz and 37 GHz, indicating nonspherical precipitation-size ice particles with a preferred horizontal orientation. Convective cores not observed in the visible and infrared data are clearly defined in the microwave observations, and borders of convective rain areas are well defined using the high-frequency (90 GHz and greater) microwave observations.

Adler, Robert F.↗

NASA NTRS1993

Quantification of processing artifacts in textile composites

One of the greatest difficulties in developing detailed models of the mechanical response of textile reinforced composites is an accurate model of the reinforcing elements. In the case of elastic property prediction, the variation of fiber position may not have a critical role in performance. However, when considering highly localized stress events, such as those associated with cracks and holes, the exact position of the reinforcement probably dominates the failure mode. Models were developed for idealized reinforcements which provide an insight into the local behavior. However, even casual observations of micrographical images reveals that the actual material deviates strongly from the idealized models. Some of the deviations and causes are presented for triaxially braided and three dimensionally woven textile composites. The necessary modeling steps to accommodate these variations are presented with some examples. Some of the ramifications of not accounting for these discrepencies are also addressed.

Pastore, Christopher M.↗

NASA NTRS1995

A LEO concept for millimeter wave satellite communication

A conceptual 60 satellite LEO constellation for millimeter wave communication is discussed. It could be launched in segments, with the first 30 satellites providing high elevation angles for all time in the Northern latitudes between Miami and Thule. The second set of 30 satellites would complete the worldwide coverage with emphasis on high ground elevation angles in the densely populated temperate zones. Full earth searches for all time are used to generate probability density functions for elevation angle. The density functions are used to derive optimum frequencies for random elevation systems. The 55 degree average elevation angle and 14 degree standard deviation are seen to be acceptable for 0.997 rain availability in Washington, DC for the 40 to 47 GHz region. The 40 to 47 GHz region is nearly optimum, if 0.99 rain availability is acceptable.

Jackson, A. H.↗

NASA NTRS2015

Coronae of Stars with Supersolar Elemental Abundances

Coronal elemental abundances are known to deviate from the photospheric values of their parent star, with the degree of deviation depending on the first ionization potential (FIP). This study focuses on the coronal composition of stars with supersolar photospheric abundances. We present the coronal abundances of six such stars: 11 LMi, iota Hor, HR 7291, tau Boo, and alpha Cen A and B. These stars all have high-statistics X-ray spectra, three of which are presented for the first time. The abundances we measured were obtained using the line-resolved spectra of the Reflection Grating Spectrometer (RGS) in conjunction with the higher throughput EPIC-pn camera spectra onboard the XMM-Newton observatory. A collisionally ionized plasma model with two or three temperature components is found to represent the spectra well. All elements are found to be consistently depleted in the coronae compared to their respective photospheres. For 11 LMi and tau Boo no FIP effect is present, while iota Hor, HR 7291, and alpha Cen A and B show a clear FIP trend. These conclusions hold whether the comparison is made with solar abundances or the individual stellar abundances. Unlike the solar corona, where low-FIP elements are enriched, in these stars the FIP effect is consistently due to a depletion of high-FIP elements with respect to actual photospheric abundances. A comparison with solar (instead of stellar) abundances yields the same fractionation trend as on the Sun. In both cases, a similar FIP bias is inferred, but different fractionation mechanisms need to be invoked.

stars: abundances / stars: coronae / stars: genera↗

NASA NTRS2020

Spectroscopy of the first resolved strongly lensed Type Ia supernova iPTF16geu

We report the results from spectroscopic observations of the multiple images of the strongly lensed Type Ia supernova (SN Ia), iPTF16geu, obtained with ground-based telescopes and the Hubble Space Telescope (HST). From a single epoch of slitless spectroscopy with HST, we resolve spectra of individual lensed supernova images for the first time. This allows us to perform an independent measurement of the time-delay between the two brightest images, Δt = 1.4 ± 5.0 d, which is consistent with the time-delay measured from the light curves. We also present measurements of narrow emission and absorption lines characterizing the interstellar medium in the SN Ia host galaxy at z = 0.4087, as well as in the foreground lensing galaxy at z = 0.2163. We detect strong Na ID absorption in the host galaxy, indicating that iPTF16geu belongs to a subclass of SNe Ia displaying ‘anomalously’ large Na ID column densities compared to dust extinction derived from light curves. For the lens galaxy, we refine the measurement of the velocity dispersion, σ = 129 ± 4 km/s, which significantly constrains the lens model. We use ground-based spectroscopy, boosted by a factor ∼70 from lensing magnification, to study the properties of a high-z SN Ia with unprecedented signal-to-noise ratio. The spectral properties of the supernova, such as pseudo-Equivalent widths of several absorption features and velocities of the Si II-line, indicate that iPTF16geu is a normal SN Ia. We do not detect any significant deviations of the SN spectral energy distribution from microlensing of the SN photosphere by stars and compact objects in the lensing galaxy.

J Johansson↗

NASA NTRS2022

Ames-2021 CO 2 Dipole Moment Surface and IR Line Lists: Toward 0.1% Uncertainty for CO 2 IR Intensities

A highly accurate CO 2 ab initio dipole moment surface (DMS), Ames-2021, is reported along with 12 C 16 O 2 infrared (IR) intensity comparisons approaching a 1–4‰ level of agreement and uncertainty. The Ames-2021 DMS was accurately fitted from CCSD(T) finite-field dipoles computed with the aug-cc-pVXZ (X = T, Q, 5) basis for C atom and the d-aug-cc-pVXZ (X = T, Q, 5) basis for O atoms, and extrapolated to the one particle basis set limit. Fitting σ(rms) is 3.8 × 10^(–7) au for 4443 geometries below 15 000 per cm . The corresponding IR intensity, S Ames-2021 , are computed using the Ames-2 potential energy surface (PES), which is the best PES available for CO 2 . Compared to high accuracy IR studies for 2001i–00001 and 3001i–00001 bands, S Ames-2021 matches NIST experiment-based intensities [S NIST-HIT16 or S HIT20 ] to −1.0 ± 1.3‰, or matches DLR experiment-based intensities [S DLR-HIT16/UCL/Ames ] to 1.9 ± 3.7‰. This indicates the systematic deviations and uncertainties have been significantly reduced in S Ames-2021 . The S UCL2015 (or S HITRAN2016 ) have larger deviations (vs S DLR ) and uncertainties (vs S DLR , S NIST ) which are attributed to the less accurate Ames-1 PES adopted in UCL-296 line list calculation. The S Ames-2021 intensity of 12 C 16 O 2 and 13 C 16 O 2 is utilized to derive new absolute 13 C/ 12 C ratios for Vienna PeeDee Belemnite (VPDB) with uncertainty reduced by 1/3 or 2/3. Further evaluation of S Ames-2021 are carried out on those CO 2 bands discussed in the HITRAN2020 update paper. Consistent improvements and better accuracies are found in band-by-band analysis, except for those bands strongly affected by Coriolis couplings, or very weak bands measured with relatively larger experimental uncertainties. The Ames-2021 296 K IR line lists are generated for 13 CO 2 isotopologues, with 18,000 per and S 296K > 1E–31) cm/molecule cutoff and then combined with CDSD line positions (except 14 C 16 O 2 ). The Ames-2021 DMS and 296 K IR line lists represent a major improvement over previous CO 2 theoretical IR intensity studies, including Ames-2016, UCL-296, and recent UCL DMS 2021 update. A real 1 permille level of agreement and uncertainty will definitely require both more accurate PES and more accurate DMS.

Chemical calculations↗