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Abstract Binary supermassive black holes (SMBHs) are consequences of galaxy mergers and dominate the low-frequency gravitational-wave background. Finding binary SMBHs in existing time-domain observations has proven difficult, as their periodic, electromagnetic signals can be confused with the natural variability of single quasars. In this work, we investigate the effects of host-galaxy contamination and survey design (cadence and duration) on the detectability of binary SMBHs with the upcoming Rubin Observatory Legacy Survey of Space and Time (LSST). We simulate millions of LSST light curves of single and binary quasars, with a distribution of quasar and host-galaxy properties motivated by empirical observations and the anticipated LSST detection space. We then apply simple sinusoidal curve fits as a potential computationally inexpensive detection method. We find that host-galaxy contamination will increase false-positive rates and decrease binary parameter recovery rates. Lower-mass, lower-luminosity binary systems are most likely to be negatively affected by host-galaxy contamination. We also find that monitoring duration affects binary detection more than survey effective cadence for this detection method. As the light-curve duration increases, false-positive rates are suppressed and binary parameter recovery rates, especially for binary periods, are improved. Increasing the light-curve duration from 5 to 10 yr shows the most dramatic improvement for successful binary detection and false-positive rejection, with additional improvement from extending the light-curve duration to 20 yr. The observation duration increase is especially critical for recovering binary periods that are longer than a decade. 

Abstract We present a reverberation mapping (RM) analysis of the coronal line [Nev]λ3427-emitting region of the quasar COS168 (SDSS J095910.30+020732.2). [Nev]λ3427 is known as one of the “coronal lines,” which are a species of emission lines present in active galactic nuclei (AGN) spectra with high ionization potentials (≥ 100 eV) that can serve as tracers for AGN activity. The spatial extent of the coronal line region has been studied with only spatial resolving techniques that are not sensitive to the innermost regions of AGN. Through our RM analysis of [Nev]λ3427, we measure a nominal “optimal emission radius” for [Nev]λ3427 of $381.1_{-22}^{+16}$lt-day (observed frame). We place the coronal line region in context with other AGN regions by comparing it with the characteristic radius of Hα, the dust-sublimation radius, and the dusty torus. The coronal line region is located at a larger radius from the black hole than the characteristic radius of the dusty torus, measured using a torus–radius luminosity relationship. The virial product (v²R/G) of both Hαand [Nev]λ3427 is consistent within the uncertainties, implying that the coronal line region, as probed by the [Nev]λ3427 line, may be in a virialized orbit that is dominated by the gravitational potential of the black hole. This plausibly suggests that coronal lines could be an effective method for estimating black hole masses. 

Abstract We present dynamical modeling of the broad-line region (BLR) of the highly variable active galactic nucleus (AGN) SDSS J141041.25+531849.0 (z= 0.359) using photometric and spectroscopic monitoring data from the Sloan Digital Sky Survey (SDSS) Reverberation Mapping project and the current fifth-generation SDSS Black Hole Mapper program, spanning from early 2013 to early 2023. We model the geometry and kinematics of the BLR in the Hβ, Hα, and Mgiiemission lines for three different time periods to measure the potential change of structure within the BLR across time and line species. We find a moderately face-on $(i_{\mathrm{full}-\mathrm{state}}=29.{68}_{-3.62}^{+4.74}\mathrm{deg})$thick-disk $({\theta }_{\mathrm{opn},\mathrm{full}-\mathrm{state}}=42.{04}_{-3.96}^{+4.32}\mathrm{deg})$geometry for most BLRs, with a joint estimate for the mass of the supermassive black hole for each of three time periods, yielding ${\log }_{10}(M_{\mathrm{BH}}/M_{\odot })=8.10_{-0.03}^{+0.03}$when using the full data set. The inferred individual virial factorf∼ 1.6 is moderately smaller than the average factor for a local sample of dynamically modeled AGNs. There is strong evidence for nonvirial motion, with over 70% of clouds on inflowing/outflowing orbits. We analyze the change in model parameters across emission lines, finding the radii of BLRs for the emission lines are consistent with the following relative sizesR_Hβ ≲ R_MgII ≲ R_Hα. Comparing results across time, we findR_low-state ≲ R_high-state, with the change in BLR size for Hβbeing more significant than for the other two lines. The data also reveal complex, time-evolving, and potentially transient dynamics of the BLR gas over a decade-long timescale, encouraging for future dynamical modeling of fine-scale BLR kinematics. 

New high-level ab initio quartic force field (QFF) methods are explored which provide spectroscopic data for the electronically excited states of the carbon monoxide, water, and formaldehyde cations, sentinel species for expanded, recent cometary spectral analysis. QFFs based on equation-of-motion ionization potential (EOM-IP) with a complete basis set extrapolation and core correlation corrections provide assignment for the fundamental vibrational frequencies of the A˜2B1 and B˜2A1 states of the formaldehyde cation; only three of these frequencies have experimental assignment available. Rotational constants corresponding to these vibrational excitations are also provided for the first time for all electronically excited states of both of these molecules. EOM-IP-CCSDT/CcC computations support tentative re-assignment of the ν1 and ν3 frequencies of the B˜2B2 state of the water cation to approximately 2409.3 cm−1 and 1785.7 cm−1, respectively, due to significant disagreement between experimental assignment and all levels of theory computed herein, as well as work by previous authors. The EOM-IP-CCSDT/CcC QFF achieves agreement to within 12 cm−1 for the fundamental vibrational frequencies of the electronic ground state of the water cation compared to experimental values and to the high-level theoretical benchmarks for variationally-accessible states. Less costly EOM-IP based approaches are also explored using approximate triples coupled cluster methods, as well as electronically excited state QFFs based on EOM-CC3 and the previous (T)+EOM approach. The novel data, including vibrationally corrected rotational constants for all states studied herein, provided by these computations should be useful in clarifying comet evolution or other remote sensing applications in addition to fundamental spectroscopy. 

Periodic signatures in time-domain observations of quasars have been used to search for binary supermassive black holes (SMBHs). These searches, across existing time-domain surveys, have produced several hundred candidates. The general stochastic variability of quasars, however, can masquerade as a false-positive periodic signal, especially when monitoring cadence and duration are limited. In this work, we predict the detectability of binary SMBHs in the upcoming Rubin Observatory Legacy Survey of Space and Time (LSST). We apply computationally inexpensive sinusoidal curve fits to millions of simulated LSST Deep Drilling Field light curves of both single, isolated quasars and binary quasars. The period and phase of simulated binary signals can generally be disentangled from quasar variability. Binary amplitude is overestimated and poorly recovered for two-thirds of potential binaries due to quasar accretion variability. Quasars with strong intrinsic variability can obscure a binary signal too much for recovery. We also find that the most luminous quasars mimic current binary candidate light curves and their properties: The false-positive rates are 60% for these quasars. The reliable recovery of binary period and phase for a wide range of input binary LSST light curves is promising for multi-messenger characterization of binary SMBHs. However, pure electromagnetic detections of binaries using photometric periodicity with amplitude greater than 0.1 mag will result in samples that are overwhelmed by false positives. This paper represents an important and computationally inexpensive way forward for understanding the true and false-positive rates for binary candidates identified by Rubin. 

High-level rovibrational characterization of methanediol, the simplest geminal diol, using state-of-the-art, purely ab initio techniques unequivocally confirms previously reported gas phase preparation of this simplest geminal diol in its C 2 conformation. The F12-TZ-cCR and F12-DZ-cCR quartic force fields (QFFs) utilized in this work are among the largest coupled cluster-based anharmonic frequencies computed to date, and they match the experimental band origins of the spectral features in the 980–1100 cm −1 range to within 3 cm −1 , representing a significant improvement over previous studies. The simulated spectrum also matches the experimental spectrum in the strong Q branch feature and qualitative shape of the 980–1100 cm −1 region. Additionally, the full set of rotational constants, anharmonic vibrational frequencies, and quartic and sextic distortion constants are provided for both the lowest energy C 2 conformer as well as the slightly higher C s conformer. Several vibrational modes have intensities of 60 km mol −1 or higher, facilitating potential astronomical or atmospheric detection of methanediol or further identification in laboratory work especially now that gas phase synthesis of this molecule has been established. 

We present a velocity-resolved reverberation mapping analysis of the hypervariable quasar RM160 (SDSS J141041.25+531849.0) atz= 0.359 with 153 spectroscopic epochs of data representing a 10 yr baseline (2013–2023). We split the baseline into two regimes based on the 3× flux increase in the light curve: a “low state” phase during the years 2013–2019 and a “high state” phase during the years 2022–2023. The velocity-resolved lag profiles (VRLPs) indicate that gas with different kinematics dominates the line emission in different states. The HβVRLP begins with a signature of inflow onto the broad-line region (BLR) in the low state, while in the high state it is flatter with less signature of inflow. The HαVRLP begins consistent with a virialized BLR in the low state, while in the high state shows a signature of inflow. The differences in the kinematics between the Balmer lines and between the low state and the high state suggests complex BLR dynamics. We find that the BLR radius and velocity (both FWHM andσ) do not obey a constant virial product throughout the monitoring period. We find that the BLR lags and continuum luminosity are correlated, consistent with rapid response of the BLR gas to the illuminating continuum. The BLR kinematic profile changes in unpredictable ways that are not related to continuum changes and reverberation lag. Our observations indicate that nonvirial kinematics can significantly contribute to observed line profiles, suggesting caution for black hole mass estimation in luminous and highly varying quasars like RM160.