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Collapsars - rapidly rotating stellar cores that form black holes (BHs) - can power gamma-ray bursts (GRBs) and are proposed to be key contributors to the production of heavy elements in the Universe via the rapid neutron capture process ($r$-process). Previous neutrino-transport collapsar simulations have been unable to unbind neutron-rich material from the disk. However, these simulations have not included magnetic fields or the BH, both of which are essential for launching mass outflows. We present $\nu$H-AMR, a novel neutrino-transport general relativistic magnetohydrodynamic ($\nu$GRMHD) code, which we use to perform the first 3D $\nu$GRMHD collapsar simulations. We find a self-consistent formation of a disk with initially weak magnetic flux, resulting in a low accretion speed and leaving sufficient time for the disk to neutronize. However, once substantial magnetic flux accumulates near the BH, it becomes dynamically important, leading to a magnetically arrested disk that unbinds some of the neutron-rich material. The strong flux also accelerates the accretion speed, preventing further disk neutronization. The neutron-rich disk ejecta collides with the infalling stellar gas, generating a shocked cocoon with an electron fraction, $Y_\text{e}\gtrsim0.2$. Continuous mixing between the cocoon and neutron-poor stellar gas incrementally raises the outflow $Y_\text{e}$, but the final $r$-process yield is determined earlier at the point of neutron capture freeze-out. Our models require extreme magnetic fluxes and mass accretion rates to eject neutron-rich material ($Y_\text{e}\lesssim0.3$), implying very high $r$-process ejecta masses $M_\text{ej}\lesssim{}M_\odot$. Future work will explore under what conditions more typical collapsar engines become $r$-process factories., Comment: 13 pages, 5 figures, 1 table (plus 7 pages and 7 figures in Appendix) uses aastex62.cls. Submitted to ApJ, comments welcome. Movies available at https://www.youtube.com/playlist?list=PLVsp-mE5pJ_UBsLD1LU1ZZCzPoLgo6wUP

Quasars are powered by supermassive black hole (SMBH) accretion disks, yet standard disk models are inconsistent with many quasar observations. Recently, Hopkins et al. (2024) simulated the formation of a quasar disk feeding a SMBH of mass $M=1.3\times10^7\,M_\odot$ in a host galaxy that evolved from cosmological initial conditions. The disk had surprisingly strong toroidal magnetic fields that supported it vertically from gravity and powered fast accretion. What radiation and feedback can such a system produce? To answer this, we must follow the gas to the event horizon. For this, we interpolated the accretion system onto the grid of the general-relativistic radiation magnetohydrodynamics code H-AMR and performed 3D simulations with BH spins $a=0$ and $a=0.9375$. This remapping generates spurious magnetic monopoles, which we erase using a novel divergence cleaning approach. Despite the toroidal magnetic field's dominance at large radii, vertical magnetic flux builds up at the event horizon. This causes a magnetic state transition within the inner $200$ gravitational radii of the disk, where net vertical magnetic flux begins dominating the accretion flow. This powers strong winds and, if the BH spins, relativistic jets that can spin-down the BH within $5-10\,{\rm Myrs}$. Sometimes, vertical magnetic fields of opposite sign reach the BH, causing polarity inversion events that briefly destroy the jets and, possibly, the X-ray corona. The disk powers accretion at rates $5\times$ the Eddington limit, which can double the BH mass in $5-10\,{\rm Myrs}$. When $a=0.9375$ ($a=0$), the energy in outflows and radiation equals about $60\%$ ($10\%$) and $100\%$ ($3\%$) of the accreted rest mass energy, respectively. Much of the light escapes in cool, extended $\gtrsim1300\,{\rm au}$ photospheres, consistent with quasar microlensing and the ``big blue bump'' seen in spectral energy distributions., Comment: 33 pages, 18 figures. Submitted to ApJ. Comments welcome!

To expand the QUEST database of highly-accurate vertical transition energies, we consider a series of large organic chromogens ubiquitous in dye chemistry, such as anthraquinone, azobenzene, BODIPY, and naphthalimide. We compute, at the CC3 level of theory, the singlet and triplet vertical transition energies associated with the low-lying excited states. This leads to a collection of more than 120 new highly-accurate excitation energies. Subsequently, we employ these reference values to benchmark a series of lower-order wave function approaches, including the popular ADC(2) and CC2 schemes, as well as time-dependent density-functional theory (TD-DFT), both with and without applying the Tamm-Dancoff approximation (TDA). At the TD-DFT level, we evaluate a large panel of global, range-separated, local, and double hybrid functionals. Additionally, we assess the performance of the Bethe-Salpeter equation (BSE) formalism relying on both $G_0W_0$ and ev$GW$ quasiparticle energies evaluated from various starting points. It turns out that CC2 and ADC(2.5) are the most accurate models amongst those with respective $\mathcal{O}(N^5)$ and $\mathcal{O}(N^6)$ scalings with system size. In contrast, CCSD does not outperform CC2. The best performing exchange-correlation functionals include BMK, M06-2X, M06-SX, CAM-B3LYP, $\omega$B97X-D, and LH20t, with average deviations of approximately 0.20 eV or slightly below. Errors on vertical excitation energies can be further reduced by considering double hybrids. Both SOS-$\omega$B88PP86 and SOS-$\omega$PBEPP86 exhibit particularly attractive performances with overall quality on par with CC2, whereas PBE0-DH and PBE-QIDH are only slightly less efficient. BSE/ev$GW$ calculations based on Kohn-Sham starting points have been found to be particularly effective for singlet transitions, but much less for their triplet counterparts., Comment: 27 pages, 10 figures (Supporting Information available)

Aims: We consider cold self-similar magnetohydrodynamic (MHD) disc wind solutions to describe jets that are launched from the circumcompanion accretion discs in post-AGB binaries. Resulting predictions are matched to observations for five different post-AGB binaries. This both tests the physical validity of the MHD disc wind paradigm and reveals the accretion disc properties. Results: Many of the time-series' properties are reproduced well by the models, though systematic mismatches, such as overestimated rotation, remain. Four targets imply accretion discs that reach close to the secondary's stellar surface, while one is fitted with an unrealistically large inner radius of about 20 stellar radii. Some fits imply inner disc temperatures over 10 000 K, seemingly discrepant with a previous observational estimate from H band interferometry. This estimate is, however, shown to be biased. Fitted mass-accretion rates range from about 10^-6 to 10^-3 solar masses per year. Relative to the jets launched from young stellar objects (YSOs), all targets prefer winds with higher ejection efficiencies, lower magnetizations and thicker discs. Conclusions: Our models show that current cold MHD disc wind solutions can explain many of the jet-related Balmer alpha features seen in post-AGB binaries, though systematic discrepancies remain. This includes, but is not limited to, overestimated rotation and underestimated post-AGB circumbinary disc lifetimes. The consideration of thicker discs and the inclusion of irradiation from the post-AGB primary, leading to warm magnetothermal wind launching, might alleviate these., Comment: Accepted for publication in Astronomy & Astrophysics. 21 pages, 9 figures. Final language edits applied

Non-adiabatic dynamics simulations have become a standard approach to explore photochemical reactions. Such simulations require underlying potential energy surfaces and couplings between them, calculated at a chosen level of theory, yet this aspect is rarely assessed. Here, in combination with the popular trajectory surface hopping dynamics method, we use a high-accuracy XMS-CASPT2 electronic structure level as a benchmark for assessing the performances of various post-Hartree-Fock methods (namely CIS, ADC(2), CC2 and CASSCF) and exchange-correlation functionals (PBE, PBE0, CAM-B3LYP) in a TD-DFT/TDA context, using the isomerization around a double bond as test case. Different relaxation pathways are identified, and the ability of the different methods to reproduce their relative importance and timescale is discussed. The results show that multi-reference electronic structure methods should be preferred, when studying non-adiabatic decay between excited and ground states. If not affordable, TD-DFT with TDA and hybrid functionals, and ADC(2) are efficient alternative, but overestimate the non-radiative decay yield and thus may miss deexcitation pathways.

DOREMUS works on a better description of music by building new tools to link and explore the data of three French institutions. This paper gives an overview of the data model based on FRBRoo, explains the conversion and linking processes using linked data technologies and presents the prototypes created to consume the data according to the web users' needs.

In the realm of photochemistry, the significance of double excitations (also known as doubly-excited states), where two electrons are concurrently elevated to higher energy levels, lies in their involvement in key electronic transitions essential in light-induced chemical reactions as well as their challenging nature from the computational theoretical chemistry point of view. Based on state-of-the-art electronic structure methods (such as high-order coupled-cluster, selected configuration interaction, and multiconfigurational methods), we improve and expand our prior set of accurate reference excitation energies for electronic states exhibiting a substantial amount of double excitations [http://dx.doi.org/10.1021/acs.jctc.8b01205; Loos et al. J. Chem. Theory Comput. 2019, 15, 1939]. This extended collection encompasses 47 electronic transitions across 26 molecular systems that we separate into two distinct subsets: (i) 28 "genuine" doubly-excited states where the transitions almost exclusively involve doubly-excited configurations and (ii) 19 "partial" doubly-excited states which exhibit a more balanced character between singly- and doubly-excited configurations. For each subset, we assess the performance of high-order coupled-cluster (CC3, CCSDT, CC4, and CCSDTQ) and multiconfigurational methods (CASPT2, CASPT3, PC-NEVPT2, and SC-NEVPT2). Using as a probe the percentage of single excitations involved in a given transition ($\%T_1$) computed at the CC3 level, we also propose a simple correction that reduces the errors of CC3 by a factor of 3, for both sets of excitations. We hope that this more complete and diverse compilation of double excitations will help future developments of electronic excited-state methodologies., Comment: 25 pages, 3 figures (Supporting Information available)

Observation of blue-shifted X-ray absorption lines indicates the presence of wind from the accretion disk in X-ray binaries. Magnetohydrodynamic (MHD) driving is one of the possible wind launching mechanisms. Recent theoretical development makes magnetic accretion-ejection self-similar solutions much more generalized, and wind can be launched even at much lower magnetization compared to equipartition value, which was the only possibility beforehand. Here, we model the transmitted spectra through MHD driven photoionized wind - models which have different values of magnetizations. We investigate the possibility of detecting absorption lines by the upcoming instruments XRISM and Athena. Attempts are made to find the robustness of the method of fitting asymmetric line profiles by multiple Gaussians. We use photoionization code XSTAR to simulate the transmitted model spectra. Fake observed spectra are finally produced by convolving model spectra with instruments' responses. Since the line asymmetries are apparent in the convolved spectra as well, this can be used as an observable diagnostic to fit for, in future XRISM and Athena spectra. We demonstrate some amount of rigor in assessing the equivalent widths of the major absorption lines, including the Fe XXVI Ly$\alpha$ doublets which can be clearly distinguished in the superior quality, future high resolution spectra. Disk magnetization becomes another crucial MHD variable that can significantly alter the absorption line profiles. Low magnetization pure MHD outflow models are dense enough to be observed by the existing or upcoming instruments. Thus these models become simpler alternatives to MHD-thermal models. Fitting with multiple Gaussians is a promising method to handle asymmetric line profiles, as well as the Fe XXVI Ly$\alpha$ doublets., Comment: 17 pages (including 4 pages of Appendix), 13 figures, Accepted for publication in A&A

To expand the existing QUEST database of accurate vertical transition energies [\href{https://doi.org/10.1002/wcms.1517}{V\'eril et al.~\textit{WIREs Comput.~Mol.~Sci.} \textbf{2021}, \textit{11}, e1517}], we have modeled more than 100 electronic excited states of different natures (local, charge-transfer, Rydberg, singlet, and triplet) in a dozen of mono- and di-substituted benzenes, including aniline, benzonitrile, chlorobenzene, fluorobenzene, nitrobenzene, among others. To establish theoretical best estimates for these vertical excitation energies, we have employed advanced coupled-cluster methods including iterative triples (CC3 and CCSDT) and, when technically possible, iterative quadruples (CC4). These high-level computational approaches provide a robust foundation for benchmarking a series of popular wave function methods. The evaluated methods all include contributions from double excitations (ADC(2), CC2, CCSD, CIS(D), EOM-MP2, STEOM-CCSD), along with schemes that also incorporate perturbative or iterative triples (ADC(3), CCSDR(3), CCSD(T)(a)$^\star$, and CCSDT-3). This systematic exploration not only broadens the scope of the QUEST database but also facilitates a rigorous assessment of different theoretical approaches in the framework of a homologous chemical series, offering valuable insights into the accuracy and reliability of these methods in such cases. We found that both ADC(2.5) and CCSDT-3 can provide consistent estimates, whereas among less expensive methods SCS-CC2 is likely the most effective approach. Importantly, we show that some lower order methods may offer reasonable trends in the homologous series while providing quite large average errors, and \emph{vice versa}. Consequently, benchmarking the accuracy of a model based solely on absolute transition energies may not be meaningful for applications involving a series of similar compounds., Comment: 14 pages, 4 figures

We reexamine $\Delta$CCSD, a state-specific coupled-cluster (CC) with single and double excitations (CCSD) approach that targets excited states through the utilization of non-Aufbau determinants. This methodology is particularly efficient when dealing with doubly excited states, a domain where the standard equation-of-motion CCSD (EOM-CCSD) formalism falls short. Our goal here is to evaluate the effectiveness of $\Delta$CCSD when applied to other types of excited states, comparing its consistency and accuracy with EOM-CCSD. To this end, we report a benchmark on excitation energies computed with the $\Delta$CCSD and EOM-CCSD methods, for a set of molecular excited-state energies that encompasses not only doubly excited states but also doublet-doublet transitions and (singlet and triplet) singly-excited states of closed-shell systems. In the latter case, we rely on a minimalist version of multireference CC known as the two-determinant CCSD method to compute the excited states. Our dataset, consisting of 276 excited states stemming from the \textsc{quest} database [V\'eril \textit{et al.}, \textit{WIREs Comput. Mol. Sci.} \textbf{2021}, 11, e1517], provides a significant base to draw general conclusions concerning the accuracy of $\Delta$CCSD. Except for the doubly-excited states, we found that $\Delta$CCSD underperforms EOM-CCSD. For doublet-doublet transitions, the difference between the mean absolute errors (MAEs) of the two methodologies (of \SI{0.10}{\eV} and \SI{0.07}{\eV}) is less pronounced than that obtained for singly-excited states of closed-shell systems (MAEs of \SI{0.15}{\eV} and \SI{0.08}{\eV}). This discrepancy is largely attributed to a greater number of excited states in the latter set exhibiting multiconfigurational characters, which are more challenging for $\Delta$CCSD., Comment: 16 pages, 6 figures

Disk-fed accretion onto neutron stars can power a wide range of astrophysical sources ranging from X-ray binaries, to accretion powered millisecond pulsars, ultra-luminous X-ray sources, and gamma-ray bursts. A crucial parameter controlling the gas-magnetosphere interaction is the strength of the stellar dipole. In addition, coherent X-ray pulsations in many neutron star systems indicate that the star's dipole moment is oblique relative to its rotation axis. Therefore, it is critical to systematically explore the 2D parameter space of the star's magnetic field strength and obliquity, which is what this work does, for the first time, in the framework of 3D general-relativistic magnetohydrodynamics. If the accretion disk carries its own vertical magnetic field, this introduces an additional factor: the relative polarity of the disk and stellar magnetic fields. We find that depending on the strength of the stellar dipole and the star-disk relative polarity, the neutron star's jet power can either increase or decrease with increasing obliquity. For weak dipole strength (equivalently, high accretion rate), the parallel polarity results in a positive correlation between jet power and obliquity, whereas the anti-parallel orientation displays the opposite trend. For stronger dipoles, the relative polarity effect disappears, and jet power always decreases with increasing obliquity. The influence of the relative polarity gradually disappears as obliquity increases. Highly oblique pulsars tend to have an increased magnetospheric radius, a lower mass accretion rate, and enter the propeller regime at lower magnetic moments than aligned stars., Comment: 10 pages, 5 figures, submitted to ApJL

Jetted astrophysical phenomena with black hole (BH) engines, including binary mergers, jetted tidal disruption events, and X-ray binaries, require a large-scale vertical magnetic field for efficient jet formation. However, a dynamo mechanism that could generate these crucial large-scale magnetic fields has not been identified and characterized. We have employed 3D global general relativistic magnetohydrodynamical (MHD) simulations of accretion disks to quantify, for the first time, a dynamo mechanism that generates large-scale magnetic fields. This dynamo mechanism primarily arises from the nonlinear evolution of the magnetorotational instability (MRI). In this mechanism, large non-axisymmetric MRI-amplified shearing wave modes, mediated by the axisymmetric azimuthal magnetic field, generate and sustain the large-scale vertical magnetic field through their nonlinear interactions. We identify the advection of magnetic loops as a crucial feature, transporting the large-scale vertical magnetic field from the outer regions to the inner regions of the accretion disk. This leads to a larger characteristic size of the, now advected, magnetic field when compared to the local disk height. We characterize the complete dynamo mechanism with two timescales: one for the local magnetic field generation, $t_{\rm g}$, and one for the large-scale scale advection, $t_{\rm adv}$. Whereas the dynamo we describe is nonlinear, we explore the potential of linear mean field models to replicate its core features. Our findings indicate that traditional $\alpha$-dynamo models, often computed in stratified shearing box simulations, are inadequate and that the effective large-scale dynamics is better described by the shear current effects or stochastic $\alpha$-dynamos., Comment: To be submitted to MNRAS. Comments welcomed!

Molecules that violate Hund's rule and exhibit an inverted gap between the lowest singlet $S_1$ and triplet $T_1$ excited states have attracted considerable attention due to their potential applications in optoelectronics. Amongst these molecules, the triangular-shaped heptazine, and its derivatives, have been in the limelight. However, conflicting reports have arisen regarding the relative energies of $S_1$ and $T_1$. Here, we employ highly accurate levels of theory, such as CC3, to not only resolve the debate concerning the sign but also quantify the magnitude of the $S_1$-$T_1$ gap. We also determine the 0-0 energies to evaluate the significance of the vertical approximation. In addition, we compute reference $S_1$-$T_1$ gaps for a series of 10 related molecules. This enables us to benchmark lower-order methods for future applications on larger systems within the same family of compounds. This contribution can serve as a reliable foundation for the design of triangular-shaped molecules with enhanced photophysical properties., Comment: 8 pages, 3 figures, supporting information available

The conventional accretion disk lore is that magnetized turbulence is the principal angular momentum transport process that drives accretion. However, when dynamically important large-scale magnetic fields thread an accretion disk, they can produce mass and angular momentum outflows, known as winds, that also drive accretion. Yet, the relative importance of turbulent and wind-driven angular momentum transport is still poorly understood. To probe this question, we analyze a long-duration ($1.2 \times 10^5 r_{\rm g}/c$) simulation of a rapidly rotating ($a=0.9$) black hole feeding from a thick ($H/r\sim0.3$), adiabatic, magnetically arrested disk (MAD), whose dynamically important magnetic field regulates mass inflow and drives both uncollimated and collimated outflows (i.e., winds and jets, respectively). By carefully disentangling the various angular momentum transport processes within the system, we demonstrate the novel result that disk winds and disk turbulence both extract roughly equal amounts of angular momentum from the disk. We find cumulative angular momentum and mass accretion outflow rates of $\dot{L}\propto r^{0.9}$ and $\dot{M}\propto r^{0.4}$, respectively. This result suggests that understanding both turbulent and laminar stresses is key to understanding the evolution of systems where geometrically thick MADs can occur, such as the hard state of X-ray binaries, low-luminosity active galactic nuclei, some tidal disruption events, and possibly gamma-ray bursts., Comment: 12 pages, 6 figures

Spinning supermassive black holes (BHs) in active galactic nuclei (AGN) magnetically launch relativistic collimated outflows, or jets. Without angular momentum supply, such jets are thought to perish within $3$ orders of magnitude in distance from the BH, well before reaching kpc-scales. We study the survival of such jets at the largest scale separation to date, via 3D general relativistic magnetohydrodynamic simulations of rapidly spinning BHs immersed into uniform zero-angular-momentum gas threaded by weak vertical magnetic field. We place the gas outside the BH sphere of influence, or the Bondi radius, chosen much larger than the BH gravitational radius, $R_\text{B}=10^3R_\text{g}$. The BH develops dynamically-important large-scale magnetic fields, forms a magnetically-arrested disk (MAD), and launches relativistic jets that propagate well outside $R_\text{B}$ and suppress BH accretion to $1.5\%$ of the Bondi rate, $\dot{M}_\text{B}$. Thus, low-angular-momentum accretion in the MAD state can form large-scale jets in Fanaroff-Riley (FR) type I and II galaxies. Subsequently, the disk shrinks and exits the MAD state: barely a disk (BAD), it rapidly precesses, whips the jets around, globally destroys them, and lets $5-10\%$ of $\dot{M}_\text{B}$ reach the BH. Thereafter, the disk starts rocking back and forth by angles $90-180^\circ$: the rocking accretion disk (RAD) launches weak intermittent jets that spread their energy over a large area and suppress BH accretion to $\lesssim 2 \% ~ \dot{M}_\text{B}$. Because BAD and RAD states tangle up the jets and destroy them well inside $R_\text{B}$, they are promising candidates for the more abundant, but less luminous, class of FR0 galaxies.

To enrich and enhance the diversity of the \textsc{quest} database of highly-accurate excitation energies [\href{https://doi.org/10.1002/wcms.1517}{V\'eril \textit{et al.}, \textit{WIREs Comput.~Mol.~Sci.}~\textbf{11}, e1517 (2021)}], we report vertical transition energies in transition metal compounds. Eleven diatomic molecules with singlet or doublet ground state containing a fourth-row transition metal (\ce{CuCl}, \ce{CuF}, \ce{CuH}, \ce{ScF}, \ce{ScH}, \ce{ScO}, \ce{ScS}, \ce{TiN}, \ce{ZnH}, \ce{ZnO}, and \ce{ZnS}) are considered and the corresponding excitation energies are computed using high-level coupled-cluster (CC) methods, namely CC3, CCSDT, CC4, and CCSDTQ, as well as multiconfigurational methods such as CASPT2 and NEVPT2. In some cases, to provide more comprehensive benchmark data, we also provide full configuration interaction estimates computed with the \textit{"Configuration Interaction using a Perturbative Selection made Iteratively"} (CIPSI) method. Based on these calculations, theoretical best estimates of the transition energies are established in both the aug-cc-pVDZ and aug-cc-pVTZ basis sets. This allows us to accurately assess the performance of CC and multiconfigurational methods for this specific set of challenging transitions. Furthermore, comparisons with experimental data and previous theoretical results are also reported., Comment: 17 pages, 3 figures

This article analyzes the reception of a novel algorithmic recommendation of documentary films by a panel of moviegoers of the T{\"e}nk platform. In order to propose an alternative to recommendations based on a thematic classification, the director or the production period, a set of metadata has been elaborated within the framework of this experimentation in order to characterize the great variety of ``documentary filmmaking dispositifs'' . The goal is to investigate the different ways in which the platform's film lovers appropriate a personalized recommendation of 4 documentaries with similar or similar filmmaking dispositifs. To conclude, the contributions and limits of this proof of concept are discussed in order to sketch out avenues of reflection for improving the instrumented mediation of documentary films., Comment: in French language

We use an analytic framework to calculate the evolution of binary orbits under a physically-motivated model that accounts for angular momentum loss associated with winds from an accretion disk around the compact objected accretor. Our prescription considers wind mass ejection from the surface of an accretion disk, accounting for a radial mass-loss dependence across the disk surface. We compare this to the standard prescription of angular momentum loss associated with isotropic mass loss from the vicinity of the accretor. The angular momentum loss from a disk-wind is always larger. For mass ratios, $q$, between $2$--$10$, angular momentum loss via a disk wind is $\simeq3$--$40$ times greater than the standard prescription. For the majority of mass ratios and disk properties, accounting for the disk wind can result in considerably smaller orbital separations compared to the standard formalism; the differences being $\simeq 60\%$ depending on how long the effect is integrated for. We conclude that it is important to consider the effects of angular momentum loss from a disk wind when evolving binary orbits., Comment: submitted to ApJ

We present the first numerical simulations that track the evolution of a black hole-neutron star (BH-NS) merger from pre-merger to $r\gtrsim10^{11}\,{\rm cm}$. The disk that forms after a merger of mass ratio $q=2$ ejects massive disk winds ($3-5\times10^{-2}\,M_{\odot}$). We introduce various post-merger magnetic configurations and find that initial poloidal fields lead to jet launching shortly after the merger. The jet maintains a constant power due to the constancy of the large-scale BH magnetic flux until the disk becomes magnetically arrested (MAD), where the jet power falls off as $L_j\sim t^{-2}$. All jets inevitably exhibit either excessive luminosity due to rapid MAD activation when the accretion rate is high or excessive duration due to delayed MAD activation compared to typical short gamma-ray bursts (sGRBs). This provides a natural explanation for long sGRBs such as GRB 211211A but also raises a fundamental challenge to our understanding of jet formation in binary mergers. One possible implication is the necessity of higher binary mass ratios or moderate BH spins to launch typical sGRB jets. For post-merger disks with a toroidal magnetic field, dynamo processes delay jet launching such that the jets break out of the disk winds after several seconds. We show for the first time that sGRB jets with initial magnetization $\sigma_0>100$ retain significant magnetization ($\sigma\gg1$) at $r>10^{10}\,{\rm cm}$, emphasizing the importance of magnetic processes in the prompt emission. The jet-wind interaction leads to a power-law angular energy distribution by inflating an energetic cocoon whose emission is studied in a companion paper., Comment: For movies of the simulations, see https://oregottlieb.com/bhns.html

The ongoing LIGO-Virgo-KAGRA observing run O4 provides an opportunity to discover new multi-messenger events, including binary neutron star (BNS) mergers such as GW170817, and the highly anticipated first detection of a multi-messenger black hole-neutron star (BH-NS) merger. While BNS mergers were predicted to exhibit early optical emission from mildly relativistic outflows, it has remained uncertain whether the BH-NS merger ejecta provides the conditions for similar signals to emerge. We present the first modeling of early near-ultraviolet/optical emission from mildly relativistic outflows in BH-NS mergers. Adopting optimal binary properties: a mass ratio of $q=2$ and a rapidly rotating BH, we utilize numerical relativity and general relativistic magnetohydrodynamic (GRMHD) simulations to follow the binary's evolution from pre-merger to homologous expansion. We use an M1 neutrino transport GRMHD simulation to self-consistently estimate the opacity distribution in the outflows and find a bright near-ultraviolet/optical signal that emerges due to jet-powered cocoon cooling emission, outshining the kilonova emission at early time. The signal peaks at an absolute magnitude of $\sim -15$ a few hours after the merger, longer than previous estimates, which did not consider the first principles-based jet launching. By late 2024, the Rubin Observatory will have the capability to track the entire signal evolution or detect its peak up to distances of $\gtrsim1$ Gpc. In 2026, ULTRASAT will conduct all-sky surveys within minutes, detecting some of these events within $\sim 200$ Mpc. The BH-NS mergers with higher mass ratios or lower BH spins would produce shorter and fainter signals., Comment: For movies of the simulations, see https://oregottlieb.com/bhns.html

The spin of a newly formed black hole (BH) at the center of a massive star evolves from its natal value due to two competing processes: accretion of gas angular momentum that increases the spin, and extraction of BH angular momentum by outflows that decreases the spin. Ultimately, the final, equilibrium spin is set by the balance between both processes. In order for the BH to launch relativistic jets and power a $ \gamma $-ray burst (GRB), the BH magnetic field needs to be dynamically important. Thus, we consider the case of a magnetically arrested disk (MAD) driving the spin evolution of the BH. By applying the semi-analytic MAD BH spin evolution model of Lowell et al. (2023) to collapsars, we show that if the BH accretes $ \sim 20\% $ of its initial mass, its dimensionless spin inevitably reaches small values, $ a \lesssim 0.2 $. For such spins, and for mass accretion rates inferred from collapsar simulations, we show that our semi-analytic model reproduces the energetics of typical GRB jets, $L_{\rm jet}\sim10^{50}\,\,{\rm erg\,s^{-1}}$. We show that our semi-analytic model reproduces the nearly constant power of typical GRB jets. If the MAD onset is delayed, this allows powerful jets at the high end of the GRB luminosity distribution, $L_{\rm jet}\sim10^{52}\,\,{\rm erg\,s^{-1}}$, but the final spin remains low, $ a \lesssim 0.3 $. These results are consistent with the low spins inferred from gravitational wave detections of binary BH mergers. In a companion paper, Gottlieb et al. (2023), we use GRB observations to constrain the natal BH spin to be $ a \simeq 0.2 $.

Collapsing stars constitute the main black hole (BH) formation channel, and are occasionally associated with the launch of relativistic jets that power $ \gamma $-ray bursts (GRBs). Thus, collapsars offer an opportunity to infer the natal (before spin-up/down by accretion) BH spin directly from observations. We show that once the BH saturates with large-scale magnetic flux, the jet power is dictated by the BH spin and mass accretion rate. Core-collapse simulations by Halevi et al. 2023 and GRB observations favor stellar density profiles that yield an accretion rate $ \dot{m} \approx 10^{-2} M_\odot~{\rm s^{-1}} $, weakly dependent on time. This leaves the spin as the main factor that governs the jet power. By comparing the jet power to characteristic GRB luminosities, we find that the majority of BHs associated with jets are likely born slowly spinning with a dimensionless spin $ a \simeq 0.2 $, or $ a \lesssim 0.5 $ for wobbling jets, with the main uncertainty originating in the unknown $ \gamma $-ray radiative efficiency. This result could be applied to the entire core-collapse BH population, unless an anti-correlation between the stellar magnetic field and angular momentum is present. In a companion paper, Jacquemin-Ide et al. 2023, we show that regardless of the natal spin, the extraction of BH rotational energy leads to spin-down to $ a \lesssim 0.2 $, consistent with gravitational-wave observations. We verify our results by performing the first 3D general relativistic magnetohydrodynamic simulations of collapsar jets with characteristic GRB energies, powered by slowly spinning BHs. We find that jets of typical GRB power struggle to escape from the star, providing the first numerical indication that many jets fail to generate a GRB.

Black hole (BH) spin can play an important role in galaxy evolution by controlling the amount of energy and momentum ejected from near the BH into the surroundings. We focus on radiatively-inefficient and geometrically-thick magnetically-arrested disks (MADs) that can launch strong BH-powered jets. With an appropriately chosen adiabatic index, these systems can describe either the low-luminosity or highly super-Eddington BH accretion regimes. Using a suite of 3D general relativistic magnetohydrodynamic (GRMHD) simulations, we find that for any initial spin, a MAD rapidly spins down the BH to the equilibrium spin of $0< a_{\rm eq} \lesssim 0.1$, very low compared to $a_{\rm eq} = 1$ for the standard thin luminous (Novikov-Thorne) disks. This implies that rapidly accreting (super-Eddington) BHs fed by MADs tend to lose most of their rotational energy to magnetized relativistic outflows. In a MAD, a BH only needs to accrete $20\%$ of its own mass to spin down from $a=1$ to $a=0.2$. We construct a semi-analytic model of BH spin evolution in MADs by taking into account the torques on the BH due to both the hydrodynamic disk and electromagnetic jet components, and find that the low value of $a_{\rm eq} $ is due to both the jets slowing down the BH rotation and the disk losing a large fraction of its angular momentum to outflows. Our results have crucial implications for how BH spins evolve in active galaxies and other systems such as collapsars, where BH spin-down timescale can be short enough to significantly affect the evolution of gamma-ray emitting BH-powered jets., Comment: 18 pages, 9 figures. Published in ApJ

We report ground- and excited-state dipole moments and oscillator strengths (computed in different ``gauges'' or representations) of full configuration interaction (FCI) quality using the selected configuration interaction method known as \textit{Configuration Interaction using a Perturbative Selection made Iteratively} (CIPSI). Thanks to a set encompassing 35 ground- and excited-state properties computed in 11 small molecules, the present near-FCI estimates allow us to assess the accuracy of high-order coupled-cluster (CC) calculations including up to quadruple excitations. In particular, we show that incrementing the excitation degree of the CC expansion (from CCSD to CCSDT or from CCSDT to CCSDTQ) reduces the average error with respect to the near-FCI reference values by approximately one order of magnitude., Comment: 12 pages, 8 figures (supporting information available)

Computer Aided Design (CAD) is widely used in the creation and optimization of various industrial systems and processes. Transforming a CAD geometry into a computational discretization that be used to solve PDEs requires care and a deep knowledge of the selected computational method. In this article, we present a novel integrated collocation scheme based on smart clouds. It allows us to transform a CAD geometry into a complete point collocation model, aware of the base geometry, with minimum effort. For this process, only the geometry of the domain, in the form of a STEP file, and the boundary conditions are needed. We also introduce an adaptive refinement process for the resultant smart cloud using an \textit{a posteriori} error indication. The scheme can be applied to any 2D or 3D geometry, to any PDE and can be applied to most point collocation approaches. We illustrate this with the meshfree Generalized Finite Difference (GFD) method applied to steady linear elasticity problems. We further show that each step of this process, from the initial discretization to the refinement strategy, is connected and is affected by the approach selected in the previous step, thus requiring an integrated scheme where the whole solution process should be considered at once.

The angular momentum of gas feeding a black hole (BH) is typically misaligned with respect to the BH spin, resulting in a tilted accretion disk. Rotation of the BH drags the surrounding space-time, manifesting as Lense-Thirring torques that lead to disk precession and warping. We study these processes by simulating a thin ($H/r=0.02$), highly tilted ($\mathcal{T}=65^\circ$) accretion disk around a rapidly rotating ($a=0.9375$) BH at extremely high resolutions, which we performed using the general-relativistic magnetohydrodynamic (GRMHD) code H-AMR. The disk becomes significantly warped and continuously tears into two individually precessing sub-disks. We find that mass accretion rates far exceed the standard $\alpha$-viscosity expectations. We identify two novel dissipation mechanisms specific to warped disks that are the main drivers of accretion, distinct from the local turbulent stresses that are usually thought to drive accretion. In particular, we identify extreme scale height oscillations that occur twice an orbit throughout our disk. When the scale height compresses, `nozzle' shocks form, dissipating orbital energy and driving accretion. Separate from this phenomenon, there is also extreme dissipation at the location of the tear. This leads to the formation of low-angular momentum `streamers' that rain down onto the inner sub-disk, shocking it. The addition of low angular momentum gas to the inner sub-disk causes it to rapidly accrete, even when it is transiently aligned with the BH spin and thus unwarped. These mechanisms, if general, significantly modify the standard accretion paradigm. Additionally, they may drive structural changes on much shorter timescales than expected in $\alpha$-disks, potentially explaining some of the extreme variability observed in active galactic nuclei., Comment: 17 pages, 10 figures. Published in ApJ

We propose design methodologies for building a compact, unified and programmable cryptoprocessor architecture that computes post-quantum key agreement and digital signature. Synergies in the two types of cryptographic primitives are used to make the cryptoprocessor compact. As a case study, the cryptoprocessor architecture has been optimized targeting the signature scheme 'CRYSTALS-Dilithium' and the key encapsulation mechanism (KEM) 'Saber', both finalists in the NIST's post-quantum cryptography standardization project. The programmable cryptoprocessor executes key generations, encapsulations, decapsulations, signature generations, and signature verifications for all the security levels of Dilithium and Saber. On a Xilinx Ultrascale+ FPGA, the proposed cryptoprocessor consumes 18,406 LUTs, 9,323 FFs, 4 DSPs, and 24 BRAMs. It achieves 200 MHz clock frequency and finishes CCA-secure key-generation/encapsulation/decapsulation operations for LightSaber in 29.6/40.4/58.3$\mu$s; for Saber in 54.9/69.7/94.9$\mu$s; and for FireSaber in 87.6/108.0/139.4$\mu$s, respectively. It finishes key-generation/sign/verify operations for Dilithium-2 in 70.9/151.6/75.2$\mu$s; for Dilithium-3 in 114.7/237/127.6$\mu$s; and for Dilithium-5 in 194.2/342.1/228.9$\mu$s, respectively, for the best-case scenario. On UMC 65nm library for ASIC the latency is improved by a factor of two due to a 2x increase in clock frequency., Comment: This paper will be published at IEEE Transactions on Computers

In our self-similar, analytical, magneto-hydrodynamic (MHD) accretion-ejection solution, the density at the base of the outflow is explicitly dependent on the disk accretion rate - a unique property of this class of solutions. We had earlier found that the ejection index $p >\sim 0.1 (\dot{M}_{acc} \propto r^p ) $ is a key MHD parameter that decides if the flow can cause absorption lines in the high resolution X-ray spectra of black hole binaries. Here we choose 3 dense warm solutions with $p = 0.1, 0.3, 0.45$ and carefully develop a methodology to generate spectra which are convolved with the Athena and XRISM response functions to predict what they will observe seeing through such MHD outflows. In this paper two other external parameters were varied - extent of the disk, $\rm{r_o|_{max}} = 10^5, \, 10^6 \,\, \rm{r_G}$, and the angle of the line of sight, $i \sim 10 - 25^{\circ}$. Resultant absorption lines (H and He-like Fe, Ca, Ar) change in strength and their profiles manifest varying degrees of asymmetry. We checked if a) the lines and ii) the line asymmetries are detected, in our suit of synthetic Athena and XRISM spectra. Our analysis shows that Athena should detect the lines and their asymmetries for a standard 100 ksec observation of a 100 mCrab source - lines with equivalent width as low as a few eV should be detected if the 6-8 keV counts are larger than $10^4 - 10^5$ even for the least favourable simulated cases., Comment: 18 pages, 13 figures in the main body and 3 figures in the appendix. Accepted for publication in MNRAS

Upcoming LIGO/Virgo/KAGRA (LVK) observing runs are expected to detect a variety of inspiralling gravitational-wave (GW) events, that come from black-hole and neutron-star binary mergers. Detection of non-inspiral GW sources is also anticipated. We report the discovery of a new class of non-inspiral GW sources - the end states of massive stars - that can produce the brightest simulated stochastic GW burst signal in LVK bands known to date, and could be detectable in the LVK run A+. Some dying massive stars launch bipolar relativistic jets, which inflate a turbulent energetic bubble - cocoon - inside of the star. We simulate such a system using state-of-the-art 3D general-relativistic magnetohydrodynamic simulations and show that these cocoons emit quasi-isotropic GW emission in the LVK band, $\sim 10-100$ Hz, over a characteristic jet activity timescale, $\sim 10-100$ s. Our first-principles simulations show that jets exhibit a wobbling behavior, in which case cocoon-powered GWs might be detected already in LVK run A+, but it is more likely that these GWs will be detected by the third generation GW detectors with estimated rate of $ \sim 10 $ events/year. The detection rate drops to $ \sim 1\% $ of that value if all jets were to feature a traditional axisymmetric structure instead of a wobble. Accompanied by electromagnetic emission from the energetic core-collapse supernova and the cocoon, we predict that collapsars are powerful multi-messenger events., Comment: For movies of the simulation, see https://oregottlieb.com/gw.html