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We present the Variable Star PhasE Curve (VSPEC) Collection, a set of Python packages for simulating combined-light spectroscopic observations of 3-dimensional exoplanet atmospheres in the presence of stellar variability and inhomogeneity. VSPEC uses the Planetary Spectrum Generator's Global Emission Spectra (PSG/GlobES) application along with a custom-built multi-component time-variable stellar model based on a user-defined grid of stellar photosphere models to produce spectroscopic light curves of the planet-host system. VSPEC can be a useful tool for modeling observations of exoplanets in transiting geometries (primary transit, secondary eclipse) as well as orbital phase curve measurements, and is built in a modular and flexible configuration for easy adaptability to new stellar and planetary model inputs. We additionally present a set of codes developed alongside the core VSPEC modules, including the stellar surface model generator vspec-vsm, the stellar spectral grid interpolation code GridPolator, and a Python interface for PSG, libpypsg., Comment: 18 pages, 11 Figures. To be published in Astronomy & Computing

Telescope missions are currently being designed which will make direct imaging of habitable exoplanets possible in the near future, and studies are needed to quantify the detectability of biosignature features in the planet's reflectance spectrum. We simulated the detectability of a NIR-absorbing surface biosignature feature with simulated observations of the nearby exoplanet Proxima Centauri b. We modeled a biosignature spectral feature with a reflectance spectrum based on an anoxygenic photosynthetic bacterial species that has strong absorption at 1 um, which could make it well suited for life on an M-dwarf hosted planet. We modeled the distribution of this organism across the planet's surface based on climate states from a 3D General Circulation Model (GCM), which were Archean and Proterozoic-like exo-Earth analogues. We included the GCM runs' prognostically simulated water clouds and added organic haze into the Archean-like atmospheres. We simulated observations of these Proxima Centauri b scenarios with the LUVOIR-A and B telescope concepts, with LUVOIR-B serving as a proxy to the planned Habitable Worlds Observatory (HWO). We calculated integration times necessary to detect the biosignature, and found that it would be detectable on Proxima Centauri b if the organism is moderately abundant (greater than a 1-4% global surface area coverage), as long as the atmosphere is transmitting in the wavelength range under consideration. Small amounts of methane, clouds, and haze do not greatly impede detectability. We found preliminary evidence that such a biosignature would be detectable on exoplanets within 15 pc, but further investigations are needed to corroborate this., Comment: 31 pages, 9 figures, 2 tables

As JWST begins to return observations, it is more important than ever that exoplanet climate models can consistently and correctly predict the observability of exoplanets, retrieval of their data, and interpretation of planetary environments from that data. Model intercomparisons play a crucial role in this context, especially now when few data are available to validate model predictions. The CUISINES Working Group of NASA's Nexus for Exoplanet System Science (NExSS) supports a systematic approach to evaluating the performance of exoplanet models, and provides here a framework for conducting community-organized exoplanet Model Intercomparison Projects (exoMIPs). The CUISINES framework adapts Earth climate community practices specifically for the needs of exoplanet researchers, encompassing a range of model types, planetary targets, and parameter space studies. It is intended to help researchers to work collectively, equitably, and openly toward common goals. The CUISINES framework rests on five principles: 1) Define in advance what research question(s) the exoMIP is intended to address. 2) Create an experimental design that maximizes community participation, and advertise it widely. 3) Plan a project timeline that allows all exoMIP members to participate fully. 4) Generate data products from model output for direct comparison to observations. 5) Create a data management plan that is workable in the present and scalable for the future. Within the first years of its existence, CUISINES is already providing logistical support to 10 exoMIPs, and will continue to host annual workshops for further community feedback and presentation of new exoMIP ideas., Comment: 14 pages, 2 figures

$Context.$ On October 31, 2009, the Photodetector Array Camera and Spectrometer (PACS) on board the Herschel Space Observatory observed far-infrared spectra of Jupiter between 50 and 220$\,\mu$m as part of the program "Water and Related Chemistry in the Solar System". $Aims.$ We investigate the disk-averaged chemical composition of Jupiter's atmosphere as a function of height using these observations. $Methods.$ We used the Planetary Spectrum Generator (PSG) and the least-squares fitting technique to infer the abundances of trace constituents. $Results.$ The PACS data include numerous spectral lines attributable to ammonia (NH$_3$), methane (CH$_4$), phosphine (PH$_3$), water (H$_2$O), and deuterated hydrogen (HD) in the Jovian atmosphere. We infer an ammonia abundance profile that decreases from a mole fraction of $(1.7\pm 0.8)\times 10^{-4}$ at $p\sim 900\,$mbar to $(1.7\pm 0.9)\times 10^{-8}$ at $p\sim 275\,$mbar, following a fractional scale height of about 0.114. For phosphine, we find a mole fraction of $(7.2\pm 1.2)\times 10^{-7}$ at pressures higher than $(550\pm 100)\,$mbar and a decrease of its abundance at lower pressures following a fractional scale height of $(0.09\pm 0.02)$. Our analysis delivers a methane mole fraction of $(1.49\pm 0.09)\times 10^{-3}$. Analyzing the HD $R(0)$ line at $112.1\,\mu$m yields a new measurement of Jupiter's D/H ratio, $\text{D/H}=(1.5\pm 0.6)\times 10^{-5}$. Finally, the PACS data allow us to put the most stringent $3\sigma$ upper limits yet on the mole fractions of hydrogen halides in the Jovian troposphere. These new upper limits are $<1.1\times 10^{-11}$ for hydrogen fluoride (HF), $<6.0\times 10^{-11}$ for hydrogen chloride (HCl), $<2.3\times 10^{-10}$ for hydrogen bromide (HBr) and $<1.2\times 10^{-9}$ for hydrogen iodide (HI) and support the proposed condensation of hydrogen halides into ammonium halide salts in the Jovian troposphere., Comment: Accepted for publication in Astronomy and Astrophysics, 16 pages, 4 tables, 24 figures incl. Appendix

Radiative transfer (RT) models are critical in the interpretation of exoplanetary spectra, in simulating exoplanet climates and when designing the specifications of future flagship observatories. However, most models differ in methodologies and input data, which can lead to significantly different spectra. In this paper, we present the experimental protocol of the MALBEC (Modeling Atmospheric Lines By the Exoplanet Community) project. MALBEC is an exoplanet model intercomparison project (exoMIP) that belongs to the CUISINES (Climates Using Interactive Suites of Intercomparisons Nested for Exoplanet Studies) framework which aims to provide the exoplanet community with a large and diverse set of comparison and validation of models. The proposed protocol tests include a large set of initial participating RT models, a broad range of atmospheres (from Hot Jupiters to temperate terrestrials) and several observation geometries, which would allow us to quantify and compare the differences between different RT models used by the exoplanetary community. Two types of tests are proposed: transit spectroscopy and direct imaging modeling, with results from the proposed tests to be published in dedicated follow-up papers. To encourage the community to join this comparison effort and as an example, we present simulation results for one specific transit case (GJ-1214 b), in which we find notable differences in how the various codes handle the discretization of the atmospheres (e.g., sub-layering), the treatment of molecular opacities (e.g., correlated-k, line-by-line) and the default spectroscopic repositories generally used by each model (e.g., HITRAN, HITEMP, ExoMol).

We analyzed spectral cubes of Callisto's leading and trailing hemispheres, collected with the NIRSpec Integrated Field Unit (G395H) on the James Webb Space Telescope. These spatially resolved data show strong 4.25-micron absorption bands resulting from solid-state 12CO2, with the strongest spectral features at low latitudes near the center of its trailing hemisphere, consistent with radiolytic production spurred by magnetospheric plasma interacting with native H2O mixed with carbonaceous compounds. We detected CO2 rovibrational emission lines between 4.2 and 4.3 microns over both hemispheres, confirming the global presence of CO2 gas in Callisto's tenuous atmosphere. These results represent the first detection of CO2 gas over Callisto's trailing side. The distribution of CO2 gas is offset from the subsolar region on either hemisphere, suggesting that sputtering, radiolysis, and geologic processes help sustain Callisto's atmosphere. We detected a 4.38-micron absorption band that likely results from solid-state 13CO2. A prominent 4.57-micron absorption band that might result from CN-bearing organics is present and significantly stronger on Callisto's leading hemisphere, unlike 12CO2, suggesting these two spectral features are spatially anti-associated. The distribution of the 4.57-micron band is more consistent with a native origin and/or accumulation of dust from Jupiter's irregular satellites. Other, more subtle absorption features could result from CH-bearing organics, CO, carbonyl sulfide (OCS), and Na-bearing minerals. These results highlight the need for preparatory laboratory work and improved surface-atmosphere interaction models to better understand carbon chemistry on the icy Galilean moons before the arrival of NASA's Europa Clipper and ESA's JUICE spacecraft., Comment: Accepted in AAS Planetary Science Journal, January 2024

Understanding the set of conditions that allow rocky planets to have liquid water on their surface -- in the form of lakes, seas or oceans -- is a major scientific step to determine the fraction of planets potentially suitable for the emergence and development of life as we know it on Earth. This effort is also necessary to define and refine the so-called "Habitable Zone" (HZ) in order to guide the search for exoplanets likely to harbor remotely detectable life forms. Until now, most numerical climate studies on this topic have focused on the conditions necessary to maintain oceans, but not to form them in the first place. Here we use the three-dimensional Generic Planetary Climate Model (PCM), historically known as the LMD Generic Global Climate Model (GCM), to simulate water-dominated planetary atmospheres around different types of Main-Sequence stars. The simulations are designed to reproduce the conditions of early ocean formation on rocky planets due to the condensation of the primordial water reservoir at the end of the magma ocean phase. We show that the incoming stellar radiation (ISR) required to form oceans by condensation is always drastically lower than that required to vaporize oceans. We introduce a Water Condensation Limit, which lies at significantly lower ISR than the inner edge of the HZ calculated with three-dimensional numerical climate simulations. This difference is due to a behavior change of water clouds, from low-altitude dayside convective clouds to high-altitude nightside stratospheric clouds. Finally, we calculated transit spectra, emission spectra and thermal phase curves of TRAPPIST-1b, c and d with H2O-rich atmospheres, and compared them to CO2 atmospheres and bare rock simulations. We show using these observables that JWST has the capability to probe steam atmospheres on low-mass planets, and could possibly test the existence of nightside water clouds., Comment: Accepted for publication in Astronomy & Astrophysics

Techniques to retrieve the atmospheric properties of exoplanets via direct observation of their reflected light have often been limited in scope due to computational constraints imposed by the forward-model calculations. We have developed a new set of techniques which significantly decreases the time required to perform a retrieval while maintaining accurate results. We constructed a grid of 1.4 million pre-computed geometric albedo spectra valued at discrete sets of parameter points. Spectra from this grid are used to produce models for a fast and efficient nested sampling routine called PSGnest. Beyond the upfront time to construct a spectral grid, the amount of time to complete a full retrieval using PSGnest is on the order of seconds to minutes using a personal computer. An extensive evaluation of the error induced from interpolating intermediate spectra from the grid indicates that this bias is insignificant compared to other retrieval error sources, with an average coefficient of determination between interpolated and true spectra of 0.998. We apply these new retrieval techniques to help constrain the optimal bandpass centers for retrieving various atmospheric and bulk parameters from a LuvEx-type mission observing several planetary archetypes. We show that spectral observations made using a 20\% bandpass centered at 0.73 microns can be used alongside our new techniques to make detections of $H_2O$ and $O_2$ without the need to increase observing time beyond what is necessary for a signal-to-noise ratio of 10. The methods introduced here will enable robust studies of the capabilities of future observatories to characterize exoplanets., Comment: 32 pages, 17 figures. Accepted for publication in The Astronomical Journal

The extraordinary 2021 September-October outburst of Centaur 29P/Schwassmann-Wachmann 1 afforded an opportunity to test the composition of primitive Kuiper disk material at high sensitivity. We conducted nearly simultaneous multi-wavelength spectroscopic observations of 29P/Schwassmann-Wachmann 1 using iSHELL at the NASA Infrared Telescope Facility and nFLASH at the Atacama Pathfinder EXperiment (APEX) on 2021 October 6, with follow-up APEX/nFLASH observations on 2021 October 7 and 2022 April 3. This coordinated campaign between near-infrared and radio wavelengths enabled us to sample molecular emission from a wealth of coma molecules and to perform measurements that cannot be accomplished with either wavelength alone. We securely detected CO emission on all dates with both facilities, including velocity-resolved spectra of the CO (J=2-1) transition with APEX/nFLASH and multiple CO (v=1-0) rovibrational transitions with IRTF/iSHELL. We report rotational temperatures, coma kinematics, and production rates for CO and stringent (3-sigma) upper limits on abundance ratios relative to CO for CH4, C2H6, CH3OH, H2CO, CS, and OCS. Our upper limits for CS/CO and OCS/CO represent their first values in the literature for this Centaur. Upper limits for CH4, C2H6, CH3OH, and H2CO are the most stringent reported to date, and are most similar to values found in ultra CO-rich Oort cloud comet C/2016 R2 (PanSTARRS), which may have implications for how ices are preserved in cometary nuclei. We demonstrate the superb synergy of coordinated radio and near-infrared measurements, and advocate for future small body studies that jointly leverage the capabilities of each wavelength.

We present observations of the 1.35+/-0.07 Earth-radius planet L 98-59 c using Wide Field Camera~3 on the Hubble Space Telescope. L 98-59 is a nearby (10.6 pc), bright (H=7.4 mag), M3V star that harbors three small, transiting planets. As one of the closest known transiting multi-planet systems, L 98-59 offers one of the best opportunities to probe and compare the atmospheres of rocky planets that formed in the same stellar environment. We measured the transmission spectrum of L 98-59 c during a single transit, with the extracted spectrum showing marginal evidence for wavelength-dependent transit depth variations which would indicate the presence of an atmosphere. Forward modeling was used to constrain possible atmospheric compositions of the planet based on the shape of the transmission spectrum. Although L 98-59 is a fairly quiet star, we have seen evidence for stellar activity, and therefore we cannot rule out a scenario where the source of the signal originates with inhomogeneities on the host-star surface. While intriguing, our results are inconclusive and additional data is needed to verify any atmospheric signal. Fortunately, additional data will soon be collected from both HST and JWST. Should this result be confirmed with additional data, L 98-59 c would be the first planet smaller than 2 Earth-radii with a detected atmosphere, and among the first small planets with a known atmosphere to be studied in detail by the JWST., Comment: Submitted to AAS Journals

Terrestrial exoplanets such as TRAPPIST-1e will be observed in a new capacity with JWST/NIRSpec, which is expected to be able to detect CO$_2$, CH$_4$, and O$_2$ signals, if present, with multiple co-added transit observations. The CO$_2$-CH$_4$ pair in particular is theorized to be a potential biosignature when inferred to be in chemical disequilibrium. Here, we simulate TRAPPIST-1e's atmosphere using the ExoCAM General Circulation Model (GCM), assuming an optimistic haze-free, tidally locked planet with an aquaplanet surface, with varying atmospheric compositions from $10^{-4}$ bar to 1 bar of partial CO$_2$ pressure with 1 bar of background N$_2$. We investigate cases both with and without a modern Earth-like CH$_4$ mixing ratio to examine the effect of CO$_2$ and CH$_4$ on the transmission spectrum and climate state of the planet. We demonstrate that in the optimistic haze-free cloudy case, H$_2$O, CO$_2$, and CH$_4$ could all be detectable in less than 50 transits within an atmosphere of 1 bar N$_2$ and 10 mbar CO$_2$ during JWST's lifespan with NIRSpec as long as the noise floor is $\lesssim$ 10 ppm. We find that in these optimistic cases, JWST may be able to detect potential biosignature pairs such as CO$_2$-CH$_4$ in TRAPPIST-1e's atmosphere across a variety of atmospheric CO$_2$ content, and that temporal climate variability does not significantly affect spectral feature variability for NIRSpec PRISM., Comment: 11 pages, 4 figures, 1 table, accepted for publication in ApJL

The TRAPPIST-1 Habitable Atmosphere Intercomparison (THAI) is a community project that aims to quantify how dfferences in general circulation models (GCMs) could impact the climate prediction for TRAPPIST-1e and, subsequently its atmospheric characterization in transit. Four GCMs have participated in THAI so far: ExoCAM, LMD-Generic, ROCKE-3D and the UM. This paper, focused on the simulated observations, is the third part of a trilogy, following the analysis of two land planet scenarios (part I) and two aquaplanet scenarios (part II). Here, we show a robust agreement between the simulated spectra and the number of transits estimated to detect the land planet atmospheres. For the aquaplanet ones, using atmospheric data from any of the four GCMs would require at least 17 transits. This prediction corresponds to UM simulated data which produces the lowest and thinnest clouds. Between 35-40% more clouds are predicted by ExoCAM or LMD-G due to higher thick terminator clouds. For the first time this work provides "GCM uncertainty error bars" of 35-40% that need to be considered in future analyses of transmission spectra. We also analyzed the inter-transit variability induced by weather patterns and changes of terminator cloudiness between transits. Its magnitude differs significantly between the GCMs but its impact on the transmission spectra is within the measurement uncertainties. THAI has demonstrated the importance of model intercomparison for exoplanets and also paved the way for a larger project to develop an intercomparison meta-framework, namely the Climates Using Interactive Suites of Intercomparisons Nested for Exoplanet Studies (CUISINES)., Comment: Accepted in the Planetary Science Journal as Part III of a series of 3 THAI papers

Simulations of exoplanet albedo profiles are key to planning and interpreting future direct imaging observations. In this paper we demonstrate the use of the Planetary Spectrum Generator to produce simulations of reflected light exoplanet spectra. We use PSG to examine multiple issues relevant to all models of directly imaged exoplanet spectra and to produce sample spectra of the bright, nearby exoplanet $\upsilon$ Andromedae d, a potential direct imaging target for next-generation facilities. We introduce a new, fast, and accurate subsampling technique that enables calculations of disk-integrated spectra one order of magnitude faster than Chebyshev-Gauss sampling for moderate- to high-resolution sampling. Using this method and a first-principles-derived atmosphere for $\upsilon$ And d, we simulate phase-dependent spectra for a variety of different potential atmospheric configurations. The simulated spectra for $\upsilon$ And d include versions with different haze and cloud properties. Based on our combined analysis of this planet's orbital parameters, phase-and illumination-appropriate model spectra, and realistic instrument noise parameters, we find that $\upsilon$ And d is a potentially favorable direct imaging and spectroscopy target for the Coronagraph Instrument (CGI) on the Nancy Grace Roman Space Telescope. When a noise model corresponding to the Roman CGI SPC spectroscopy mode is included, PSG predicts the time required to reach a signal-to-noise ratio of 10 of the simulated spectra in both the central wavelength bin of the Roman CGI SPC spectroscopy mode (R=50 spectrum) and of the Band 1 HLC imaging mode is approximately 400 and less than 40 hr, respectively. We also discuss potential pathways to extricating information about the planet and its atmosphere with future observations and find that Roman observations may be able to bound the interior temperature of the planet., Comment: 23 pages, 14 figures

L 98-59 is an M3V dwarf star that hosts three small (R < 1.6 Earth radii) planets. The host star is bright (K = 7.1) and nearby (10.6 pc), making the system a prime target for follow-up characterization with the Hubble Space Telescope (HST) and the upcoming James Webb Space Telescope (JWST). Herein, we use simulated transmission spectroscopy to evaluate the detectability of spectral features with HST and JWST assuming diverse atmospheric scenarios (e.g., atmospheres dominated by H2, H2O, CO2, or O2). We find that H2O and CH4 present in a low mean-molecular weight atmosphere could be detected with HST in 1 transit for the two outermost planets, while H2O in a clear steam atmosphere could be detected in 6 transits or fewer with HST for all three planets. We predict that observations using JWST/NIRISS would be capable of detecting a clear steam atmosphere in 1 transit for each planet, and H2O absorption in a hazy steam atmosphere in 2 transits or less. In a clear, desiccated atmosphere, O2 absorption may be detectable for all three planets with NIRISS. If the L 98-59 planets possess a clear, Venus-like atmosphere, NIRSpec could detect CO2 within 26 transits for each planet, but the presence of H2SO4 clouds would significantly suppress CO2 absorption. The L 98-59 system is an excellent laboratory for comparative planetary studies of transiting multiplanet systems, and observations of the system via HST and JWST would present a unique opportunity to test the accuracy of the models presented in this study., Comment: Submitted to AJ

A critical question in astrobiology is whether exoEarth candidates (EECs) are Earth-like, in that they originate life that progressively oxygenates their atmospheres similarly to Earth. We propose answering this question statistically by searching for O2 and O3 on EECs with missions such as HabEx or LUVOIR. We explore the ability of these missions to constrain the fraction, fE, of EECs that are Earth-like in the event of a null detection of O2 or O3 on all observed EECs. We use the Planetary Spectrum Generator to simulate observations of EECs with O2 and O3 levels based on Earth's history. We consider four instrument designs: LUVOIR-A (15m), LUVOIR-B (8m), HabEx with a starshade (4m, "HabEx/SS"), HabEx without a starshade (4m, "HabEx/no-SS"); as well as three estimates of the occurrence rate of EECs (eta_earth): 24%, 5%, and 0.5%. In the case of a null-detection, we find that for eta_earth = 24%, LUVOIR-A, LUVOIR-B, and HabEx/SS would constrain fE to <= 0.094, <= 0.18, and <= 0.56, respectively. This also indicates that if fE is greater than these upper limits, we are likely to detect O3 on at least 1 EEC. Conversely, we find that HabEx/no-SS cannot constrain fE, due to the lack of an coronagraph ultraviolet channel. For eta_earth = 5%, only LUVOIR-A and LUVOIR-B would be able to constrain fE, to <= 0.45 and <= 0.85, respectively. For eta_earth = 0.5%, none of the missions would allow us to constrain fE, due to the low number of detectable EECs. We conclude that the ability to constrain fE is more robust to uncertainties in eta_earth for missions with larger aperture mirrors. However all missions are susceptible to an inconclusive null detection if eta_earth is sufficiently low., Comment: Accepted at The Astronomical Journal, January 7 2021. arXiv admin note: substantial text overlap with arXiv:2008.03952

In anticipation of future flagship missions focused on the goal of achieving direct imaging of rocky exoplanets, we have developed a database of models to help the community examine the potential spectral characteristics of a broad range of rocky planet atmospheres. Using the publicly available Planetary Spectrum Generator (PSG), we have computed a grid of 141,600 rocky exoplanet geometric albedo spectra across a 7-dimensional parameter space. Using this grid, we have performed a color-color analysis seeking to identify the most useful near-ultraviolet and red or near-infrared photometric followup channels to combine with a green-optical (discovery) spectral channel. We found that a combination of filters at 0.4 um, 0.58 um, and (approx) 0.8um were able to distinguish between atmospheres with moderate-to-high concentrations of four different dominant absorbing constituents, given at least 10 hours of observation on a star at 10 parsec with a 15-meter-class space telescope; however, more moderate abundances similar to those of Solar System rocky bodies would be more challenging to detect. We recommend that future missions seeking to characterize directly imaged rocky exoplanets by colors alone further consider multi-band photometry as a first discriminator for planetary characteristics., Comment: 15 pages, 10 figures. Accepted by AJ as of 9/2/2020

A critical question in the search for extraterrestrial life is whether exoEarths are Earth-like, in that they host life that progressively oxygenates their atmospheres roughly following Earth's oxygenation history. This question could be answered statistically by searching for O$_2$ and O$_3$ on exoEarths detected by HabEx or LUVOIR. The point of this paper is to compare the ability of HabEx and LUVOIR to prevent a false negative answer to this question, in which we do not detect O$_2$ or O$_3$ on any planet even if all exoEarths are Earth-like. Our approach is to assign O$_2$ and O$_3$ values drawn from Earth's history to a distribution of detectable exoEarths and determine whether O$_2$ and O$_3$ would be detectable using the Planetary Spectrum Generator. We find that if exoEarths tend to be Earth-like, we expect to detect O$_3$ with a LUVOIR-sized instrument. We also find that LUVOIR is unlikely to have a false negative scenario in the context of searching for Earth-like life on its targeted exoEarths. Because of that, if LUVOIR does not detect O$_2$ or O$_3$ on any exoEarths, we will be able to constrain the maximum number of exoEarths that could be Earth-like. In contrast, we find that even if all exoEarths are Earth-like, HabEx has up to a 22% chance of not detecting O$_2$ or O$_3$ on any of them. This is because HabEx will detect less planets and cannot reliably detect O$_2$ and O$_3$ at all potential Proterozoic levels. This is a strong argument for building a larger telescope such as LUVOIR if we want to determine whether exoEarths tend to be Earth-like., Comment: Must revise noise parameters used for HabEx

Telescope and detector developments continuously enable deeper and more detailed studies of astronomical objects. Larger collecting areas, improvement in dispersion and detector techniques, and higher sensitivities allow detection of more molecules in a single observation, at lower abundances, resulting in better constraints of the targets physical and chemical conditions. Improvements on current telescopes, and not to mention future observatories, both in space and on the ground, will continue this trend, ever improving our understanding of the Universe. Planetary exploration missions carry instrumentation to unexplored areas, and reveal details impossible to observe from the Earth by performing in-situ measurements. Space based observatories allow observations of object at wavelength ranges absorbed by the Earths atmosphere. The depth of understanding from all of these studies can be greatly enhanced by combining observations: ground-based and space-based, low-resolution and high-resolution, local and global-scale, similar observations over a broader or different spectra range, or by providing temporal information through follow-ups. Combined observations provide context and a broader scope of the studied object, and in this white paper, we outline a number of studies where observations are synergistically applied to increase the scientific value of both datasets. Examples include atmospheric studies of Venus, Mars, Titan, comets, Jupiter, as well as more specific cases describing synergistic studies in the Juno mission, and ground-based radar studies for near Earth objects. The examples aim to serve as inspiration for future synergistic observations, and recommendations are made based on the lessons learned from these examples., Comment: This is a white paper submitted to the Planetary Decadal Survey

The collision-induced fundamental vibration-rotation band at 6.4 um is the most significant absorption feature from O2 in the infrared (Timofeyev and Tonkov, 1978; Rinslandet al., 1982, 1989), yet it has not been previously incorporated into exoplanet spectral analyses for several reasons. Either CIAs were not included or incomplete/obsolete CIA databases were used. Also, the current version of HITRAN does not include CIAs at 6.4 um with other collision partners (O2-X). We include O2-X CIA features in our transmission spectroscopy simulations by parameterizing the 6.4 um O2-N2 CIA based on Rinsland et al.(1989) and the O2-CO2 CIA based on Baranov et al. (2004). Here we report that the O2-X CIA may be the most detectable O2 feature for transit observations. For a potentialTRAPPIST-1e analogue system within 5 pc of the Sun, it could be the only O2 detectable signature with JWST (using MIRI LRS) for a modern Earth-like cloudy atmosphere with biological quantities of O2. Also, we show that the 6.4 um O2-X CIA would be prominent for O2-rich desiccated atmospheres (Luger and Barnes, 2015) and could be detectable with JWST in just a few transits. For systems beyond 5 pc, this feature could therefore be a powerful discriminator of uninhabited planets with non-biological "false positive" O2 in their atmospheres - as they would only be detectable at those higher O2 pressures., Comment: Published in Nature Astronomy

We present self-consistent three-dimensional climate simulations of possible habitable states for the newly discovered Habitable Zone Earth-sized planet, TOI-700 d. We explore a variety of atmospheric compositions, pressures, and rotation states for both ocean-covered and completely desiccated planets in order to assess the planet's potential for habitability. For all 20 of our simulated cases, we use our climate model outputs to synthesize transmission spectra, combined-light spectra, and integrated broadband phase curves. These climatologically-informed observables will help the community assess the technological capabilities necessary for future characterization of this planet - as well as similar transiting planets discovered in the future - and will provide a guide for distinguishing possible climate states if one day we do obtain sensitive spectral observations of a habitable planet around a M-star. We find that TOI-700 d is a strong candidate for a habitable world and can potentially maintain temperate surface conditions under a wide variety of atmospheric compositions. Unfortunately, the spectral feature depths from the resulting transmission spectra and the peak flux and variations from our synthesized phase curves for TOI-700 d do not exceed 10 ppm. This will likely prohibit the James Webb Space Telescope (JWST) from characterizing its atmosphere; however, this motivates the community to invest in future instrumentation that perhaps can one day reveal the true nature of TOI-700 d, and to continue to search for similar planets around less distant stars., Comment: Accepted to the Astronomical Journal. 21 pages, 11 figures

We present the discovery and validation of a three-planet system orbiting the nearby (31.1 pc) M2 dwarf star TOI-700 (TIC 150428135). TOI-700 lies in the TESS continuous viewing zone in the Southern Ecliptic Hemisphere; observations spanning 11 sectors reveal three planets with radii ranging from 1 R$_\oplus$ to 2.6 R$_\oplus$ and orbital periods ranging from 9.98 to 37.43 days. Ground-based follow-up combined with diagnostic vetting and validation tests enable us to rule out common astrophysical false-positive scenarios and validate the system of planets. The outermost planet, TOI-700 d, has a radius of $1.19\pm0.11$ R$_\oplus$ and resides in the conservative habitable zone of its host star, where it receives a flux from its star that is approximately 86% of the Earth's insolation. In contrast to some other low-mass stars that host Earth-sized planets in their habitable zones, TOI-700 exhibits low levels of stellar activity, presenting a valuable opportunity to study potentially-rocky planets over a wide range of conditions affecting atmospheric escape. While atmospheric characterization of TOI-700 d with the James Webb Space Telescope (JWST) will be challenging, the larger sub-Neptune, TOI-700 c (R = 2.63 R$_\oplus$), will be an excellent target for JWST and beyond. TESS is scheduled to return to the Southern Hemisphere and observe TOI-700 for an additional 11 sectors in its extended mission, which should provide further constraints on the known planet parameters and searches for additional planets and transit timing variations in the system., Comment: Accepted for publication in AJ (30 pages, 13 figures, 4 tables, 2 appendices)

Observations of water ice clouds and aerosols on Mars can provide important insights into the complexity of the water cycle. Recent observations have indicated an important link between dust activity and the water cycle, as intense dust activity can significantly raise the hygropause, and subsequently increase the escape of water after dissociation in the upper atmosphere. Here present observations from NOMAD/TGO that investigate the variation of water ice clouds in the perihelion season of Mars Year 34 (April 2018-19), their diurnal and seasonal behavior, and the vertical structure and microphysical properties of water ice and dust. These observations reveal the recurrent presence of a layer of mesospheric water ice clouds subsequent to the 2018 Global Dust Storm. We show that this layer rose from 45 to 80 km in altitude on a timescale of days from heating in the lower atmosphere due to the storm. In addition, we demonstrate that there is a strong dawn dusk asymmetry in water ice abundance, related to nighttime nucleation and subsequent daytime sublimation. Water ice particle sizes are retrieved consistently and exhibit sharp vertical gradients (from 0.1 to 4.0 um), as well as mesospheric differences between the Global Dust Storm (<0.5 um) and the 2019 regional dust storm (1.0 um), which suggests differing water ice nucleation efficiencies. These results form the basis to advance our understanding of mesospheric water ice clouds on Mars, and further constrain the interactions between water ice and dust in the middle atmosphere., Comment: Submitted to Journal of Geophysical Research - Planets. 36 pages, 9 figures, 1 table

The search for water-rich Earth-sized exoplanets around low-mass stars is rapidly gaining attention because they represent the best opportunity to characterize habitable planets in the near future. Understanding the atmospheres of these planets and determining the optimal strategy for characterizing them through transmission spectroscopy with our upcoming instrumentation is essential in order to constrain their environments. For this study, we present simulated transmission spectra of tidally locked Earth-sized ocean-covered planets around late-M to mid-K stellar spectral types, utilizing GCM modeling results previously published by Kopparapu et al. (2017) as inputs for our radiative transfer calculations performed using NASA's Planetary Spectrum Generator (psg.gsfc.nasa.gov; Villanueva et al. (2018)). We identify trends in the depth of H$_2$O spectral features as a function of planet surface temperature and rotation rate. These trends allow us to calculate the exposure times necessary to detect water vapor in the atmospheres of aquaplanets through transmission spectroscopy with the upcoming James Webb Space Telescope (JWST) as well as several future flagship space telescope concepts under consideration (LUVOIR and OST) for a target list constructed from the TESS Input Catalog (TIC). Our calculations reveal that transmission spectra for water-rich Earth-sized planets around low-mass stars will be dominated by clouds, with spectral features < 20 ppm, and only a small subset of TIC stars would allow for the characterization of an ocean planet in the Habitable Zone. We thus present a careful prioritization of targets that are most amenable to follow-up characterizations with next-generation instrumentation, in order to assist the community in efficiently utilizing precious telescope time., Comment: Accepted to the Astrophysical Journal. 25 pages, 10 figures

The TRAPPIST-1 system, consisting of an ultra-cool host star having seven known Earth-size planets will be a prime target for atmospheric characterization with JWST. However, the detectability of atmospheric molecular species may be severely impacted by the presence of clouds and/or hazes. In this work, we perform 3-D General Circulation Model (GCM) simulations with the LMD Generic model supplemented by 1-D photochemistry simulations at the terminator with the Atmos model to simulate several possible atmospheres for TRAPPIST-1e, 1f and 1g: 1) modern Earth, 2) Archean Earth, and 3) CO2-rich atmospheres. JWST synthetic transit spectra were computed using the GSFC Planetary Spectrum Generator (PSG). We find that TRAPPIST-1e, 1f and 1g atmospheres, with clouds and/or hazes, could be detected using JWST's NIRSpec prism from the CO2 absorption line at 4.3 um in less than 15 transits at 3 sigma or less than 35 transits at 5 sigma. However, our analysis suggests that other gases would require hundreds (or thousands) of transits to be detectable. We also find that H2O, mostly confined in the lower atmosphere, is very challenging to detect for these planets or similar systems if the planets' atmospheres are not in a moist greenhouse state. This result demonstrates that the use of GCMs, self-consistently taking into account the effect of clouds and sub-saturation, is crucial to evaluate the detectability of atmospheric molecules of interest as well as for interpreting future detections in a more global (and thus robust and relevant) approach., Comment: 36 pages, 19 figures

The Nadir and Occultation for MArs Discovery instrument (NOMAD), onboard the ExoMars Trace Gas Orbiter (TGO) spacecraft was conceived to observe Mars in solar occultation, nadir, and limb geometries, and will be able to produce an outstanding amount of diverse data, mostly focused on properties of the atmosphere. The infrared channels of the instrument operate by combining an echelle grating spectrometer with an Acousto-Optical Tunable Filter (AOTF). Using in-flight data, we characterized the instrument performance and parameterized its calibration. In particular: an accurate frequency calibration was achieved, together with its variability due to thermal effects on the grating. The AOTF properties and transfer function were also quantified, and we developed and tested a realistic method to compute the spectral continuum transmitted through the coupled grating + AOTF system. The calibration results enabled unprecedented insights into the important problem of the sensitivity of NOMAD to methane abundances in the atmosphere. We also deeply characterized its performance under realistic conditions of varying aerosol abundances, diverse albedos and changing illumination conditions as foreseen over the nominal mission. The results show that, in low aerosol conditions, NOMAD single spectrum, 1-sigma sensitivity to CH4 is around 0.33 ppbv at 20 km of altitude when performing solar occultations, and better than 1 ppbv below 30 km. In dusty conditions, we show that the sensitivity drops to 0 below 10 km. In Nadir geometry, results demonstrate that NOMAD will be able to produce seasonal maps of CH4 with a sensitivity around 5 ppbv over most of planet's surface with spatial integration over 5x5 degrees bins. Results show also that such numbers can be improved by a factor of 10 to 30 by data binning. Overall, our results quantify NOMAD's capability to address the variable aspects of Martian climate.

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., Comment: Journal of Quantitative Spectroscopy and Radiative Transfer, submitted

In this document, we summarize the main capabilities of the James Webb Space Telescope (JWST) for performing observations of Mars. The distinctive vantage point of JWST at the Sun-Earth Lagrange point (L2) will allow sampling the full observable disk, permitting the study of short-term phenomena, diurnal processes (across the East-West axis) and latitudinal processes between the hemispheres (including seasonal effects) with excellent spatial resolutions (0.07 arcsec at 2 {\mu}m). Spectroscopic observations will be achievable in the 0.7-5 {\mu}m spectral region with NIRSpec at a maximum resolving power of 2700, and with 8000 in the 1-1.25 {\mu}m range. Imaging will be attainable with NIRCam at 4.3 {\mu}m and with two narrow filters near 2 {\mu}m, while the nightside will be accessible with several filters in the 0.5 to 2 {\mu}m. Such a powerful suite of instruments will be a major asset for the exploration and characterization of Mars. Some science cases include the mapping of the water D/H ratio, investigations of the Martian mesosphere via the characterization of the non-LTE CO$_2$ emission at 4.3 {\mu}m, studies of chemical transport via observations of the O$_2$ nightglow at 1.27 {\mu}m, high cadence mapping of the variability dust and water ice clouds, and sensitive searches for trace species and hydrated features on the Martian surface. In-flight characterization of the instruments may allow for additional science opportunities., Comment: Accepted for publication on "Publications of the Astronomical Society of the Pacific" on 2/October/2015

We attempt to confirm bright non-LTE emission from the exoplanet HD189733b at 3.25 microns, as recently reported by Swain et al. (2010) based on observations at low spectral resolving power (R ~ 30). Non-LTE emission lines from gas in an exoplanet atmosphere will not be significantly broadened by collisions, so the measured emission intensity per resolution element must be substantially brighter when observed at high spectral resolving power. We observed the planet before, during, and after a secondary eclipse event at a resolving power R = 27,000 using the NIRSPEC spectrometer on the Keck II telescope. Our spectra cover a spectral window near the peak found by Swain et al., and we compare emission cases that could account for the magnitude and wavelength dependence of the Swain et al. result with our final spectral residuals. To model the expected line emission, we use a general non-equilibrium formulation to synthesize emission features from all plausible molecules that emit in this spectral region. In every case, we detect no line emission to a high degree of confidence. After considering possible explanations for the Swain et al. results and the disparity with our own data, we conclude that an astrophysical source for the putative non-LTE emission is unlikely. We note that the wavelength dependence of the signal seen by Swain et al. closely matches the 2nu2 band of water vapor at 300K, and we suggest that an imperfect correction for telluric water is the source of the feature claimed by Swain et al., Comment: 11 pages, 5 figures; accepted to the Astrophysical Journal; figure placement preliminary

Volatile organic emissions were detected post-perihelion in the long period comet C/2006 M4 (SWAN) in October and November 2006. Our study combines target-of-opportunity observations using the infrared Cryogenic Echelle Spectrometer (CSHELL) at the NASA-IRTF 3-m telescope, and millimeter wavelength observations using the Arizona Radio Observatory (ARO) 12-m telescope. Five parent volatiles were measured with CSHELL (H2O, CO, CH3OH, CH4, and C2H6), and two additional species (HCN and CS) were measured with the ARO 12-m. These revealed highly depleted CO and somewhat enriched CH3OH compared with abundances observed in the dominant group of long-period (Oort cloud) comets in our sample and similar to those observed recently in Comet 8P/Tuttle. This may indicate highly efficient H-atom addition to CO at very low temperature (~ 10 - 20 K) on the surfaces of interstellar (pre-cometary) grains. Comet C/2006 M4 had nearly "normal" C2H6 and CH4, suggesting a processing history similar to that experienced by the dominant group. When compared with estimated water production at the time of the millimeter observations, HCN was slightly depleted compared with the normal abundance in comets based on IR observations but was consistent with the majority of values from the millimeter. The ratio CS/HCN in C/2006 M4 was within the range measured in ten comets at millimeter wavelengths. The higher apparent H-atom conversion efficiency compared with most comets may indicate that the icy grains incorporated into C/2006 M4 were exposed to higher H-atom densities, or alternatively to similar densities but for a longer period of time., Comment: Accepted for Publication in Icarus (27 pages, 4 tables, 4 figures)

High-dispersion (l/dl ~ 25,000) infrared spectra of Comet C/2004 Q2 (Machholz) were acquired on Nov. 28-29, 2004, and Jan. 19, 2005 (UT dates) with NIRSPEC at the Keck-2 telescope on Mauna Kea. We detected H2O, CH4, C2H2, C2H6, CO, H2CO, CH3OH, HCN, and NH3 and we conducted a sensitive search for CH3D. We report rotational temperatures, production rates, and mixing ratios (with respect to H2O) at heliocentric distances of 1.49 AU (Nov. 2004) and 1.21 AU (Jan. 2005). We highlight three principal results: (1) The mixing ratios of parent volatiles measured at 1.49 AU and 1.21 AU agree within confidence limits, consistent with homogeneous composition in the mean volatile release from the nucleus of C/2004 Q2. Notably, the relative abundance of C2H6/C2H2 is substantially higher than those measured in other comets, while the mixing ratios C2H6/H2O, CH3OH/H2O, and HCN/H2O are similar to those observed in comets, referred to as "organics-normal". (2) The spin temperature of CH4 is > 35-38 K, an estimate consistent with the more robust spin temperature found for H2O. (3) We obtained a 3s upper limit of CH3D/CH4 < 0.020 (D/H < 0.005). This limit suggests that methane released from the nucleus of C/2004 Q2 is not dominated by a component formed in extremely cold (near 10 K) environments. Formation pathways of both interstellar and nebular origin consistent with the measured D/H in methane are discussed. Evaluating the relative contributions of these pathways requires further modeling of chemistry including both gas-phase and gas-grain processes in the natal interstellar cloud and in the protoplanetary disk., Comment: Accepted by The Astrophysical Journal

We detect emission from multiple low-excitation ro-vibrational transitions of OH from the two Herbig Ae stars AB Aurigae and MWC 758 in the 3.0 - 3.7 micron wavelength range (L-band), using the NIRSPEC instrument on Keck II. The inner radius for the emitting region in both stars is close to 1 AU. We compare an optically thin LTE model and a thin-wedge fluorescence model, finding rotational temperatures of 650 - 800 K and OH abundances of 10^42 - 10^45 molecules for the two stars. Comparisons with current chemical models support the fluorescence excitation model for AB Aurigae and possibly MWC 758, but further observations and detailed modeling are necessary to improve constraints on OH emission in different disk environments., Comment: 9 pages, 1 table, 3 figures, accepted to ApJL

Comet 73P-B/Schwassmann-Wachmann 3 was observed with IRCS/Subaru at geocentric distance of 0.074 AU on UT 10 May 2006. Multiple H2O emission lines were detected in non-resonant fluorescence near 2.9 microns. No significant variation in total H2O production rate was found during the (3 hour) duration of our observations. H2O rotational temperatures and ortho-to-para abundance ratios were measured for several positions in the coma. The temperatures extracted from two different time intervals show very similar spatial distributions. For both, the rotational temperature decreased from ~110 K to ~90 K as the projected distance from the nucleus increased from ~5 to ~30 km. We see no evidence for OPR change in the coma. The H2O ortho-para ratio is consistent with the statistical equilibrium value (3.0) for all spatially resolved measurements. This implies a nuclear spin temperature higher than ~ 45 K., Comment: accepted for Icarus