arXiv subjects

Jon Grumer

Publications and source records attributed to Jon Grumer.

At least 19 recordsLinked to original sources

arXiv2025

Infrared spectral signatures of light r-process elements in kilonovae

A central question regarding neutron star mergers is whether they are able to produce all the r-process elements, from first to third peak. The high abundances of first-peak elements (atomic number $Z \sim 31-40$) in the solar composition means they may dominate the ejecta mass in kilonovae. We here study theoretical infrared signatures of such light elements with spectral synthesis modelling. By combining state-of-the-art NLTE physics with new radiative and collisional data for these elements, we identify several promising diagnostic lines from Ge, As, Se, Br, Kr and Zr. The models give self-consistent line luminosities and indicate specific features that probe emission volumes at early phases ($\sim$10d), the product of ion mass and electron density in late phases ($\gtrsim$75d), and in some cases direct ionic masses at intermediate phases. Emission by [Se I] 5.03 \mum\ + [Se III] 4.55 \mum\ can produce satisfactory fits to the Spitzer photometry of AT2017gfo. However, the models show consistently that with a Kr/Te and Se/Te ratio following the solar r-process pattern, Kr + Se emission is dominant over Te for the blend at 2.1 \mum\ observed in both AT2017gfo and AT2023vfi. The somewhat better line profile fit with [Te III] may suggest that both AT2017gfo and AT2023vfi had a strongly sub-solar production of the light r-process elements. An alternative scenario could be that Kr + Se in an asymmetric morphological distribution generates the feature. Further JWST spectral data, in particular covering the so far unobserved $>5$ \mum\ region, holds promise to determine the light r-process production of kilonovae, and in particular whether the light elements are made in a slow disk wind or in a fast proto-NS outflow. We identify specific needs for further atomic data on recombination rates and collision strengths for $Z=31-40$ elements.

astro-ph.SR↗

arXiv2025

Lanthanide Impact on the Infra-Red Spectra of Nebular Phase Kilonovae

Nebular phase kilonovae (KNe) have significant infra-red (IR) emission thought to be mostly forbidden emission lines from rapid neutron capture (r-process) species in neutron star merger ejecta. Lanthanide elements in particular have complex, open f-shell atomic structures with many IR transitions. Using non-local thermodynamic equilibrium (NLTE) radiative transfer simulations, we explore the impact of lanthanides on the IR spectra of KNe in the nebular phase, exploring a parameter space of ejecta mass and lanthanide fraction. We find that lanthanide impact is greater at higher densities, corresponding to earlier epochs and greater ejecta masses. The wavelengths most affected are found to be $\lambda \lesssim 4~\mu$m, with the species Ce\,\textsc{iii} and Nd \textsc{ii} being the most important contributors to spectral formation. We also find significant emission from species proposed in observations, notably Te\,\textsc{iii} at 2.1 $\mu$m, and Se\,\textsc{iii} at 4.5 and 5.7 $\mu$m, while W\,\textsc{iii} is subdominant at 4.5 $\mu$m. The Te\,\textsc{iii} feature at 2.1 $\mu$m is always blended, particularly with Zr\,\textsc{ii}, Ce\,\textsc{iii}, and Nd\,\textsc{ii}. We do not reproduce the smooth blackbody-like continua observed in AT2023vfi. Based on our results, we argue that line opacity alone is likely insufficient to produce optically thick continua in the nebular phase, even in the case of lanthanide/actinide-rich ejecta, as our models are optically thin in the IR at these epochs. Given that lanthanide contributions are dominant below 4 $\mu$m, we suggest that NIR observations best probe these elements, while MIR spectroscopy with \textit{JWST} can reliably probe non-lanthanide emission even in relatively lanthanide-rich cases.

astro-ph.HE↗

arXiv2025

$\textit{Ab initio}$ multiconfigurational calculations of experimentally significant energy levels and transition rates in Lr I $\left( Z=103 \right)$

Large-scale multiconfigurational calculations are conducted on experimentally significant transitions in Lr I and its lanthanide homologue Lu I, exhibiting good agreement with recent theoretical and experimental results. A single reference calculation is performed, allowing for substitutions from the core within a sufficiently large active set to effectively capture the influence of the core on the valence shells, improving upon previous multiconfigurational calculations. An additional calculation utilising a multireference set is performed to account for static correlation effects which contribute to the wavefunction. Reported energies for the two selected transitions are 20716$\pm$550 $\text{cm}^{-1}$ and 28587$\pm$650 $\text{cm}^{-1}$ for $7\!s^2 8s~^{2} \! {S}_{1\!/\!2}$ $\rightarrow$ $7\!s^2 7\!p ~^{2} \! {P}^{o}_{1\!/\!2 }$ and $7\!s^2 7\!d ~^{2} \! {D}_{3\!/\!2 }$ $\rightarrow$ $7\!s^2 7\!p ~^{2} \! {P}^{o}_{1\!/\!2 }$, respectively.

physics.atom-ph↗

arXiv2025

Nebular spectra of kilonovae with detailed recombination rates -- I. Light r-process composition

To investigate spectra of kilonovae in the NLTE phase (t>= 1 week), we perform atomic calculations for dielectronic recombination (DR) rates for the light r-process elements Se (Z = 34), Rb (Z = 37), Sr (Z = 38), Y (Z = 39), and Zr (Z = 40) using the HULLAC code. For the different elements, our results for the DR rate coefficients for recombining from the ionization states of II to I, III to II, and IV to III vary between 2x10^{-12} - 5x10^{-11} cm^3/s, 10^{-13} - 5x10^{-11} cm^3/s and 2x10^{-15} - 10^{-11} cm^3/s, respectively, at a temperature of T = 10,000 K. Using this new atomic data (DR), we study the impact on kilonova model spectra at phases of t = 10 days and t = 25 days after the merger using the spectral synthesis code SUMO. Compared to models using the previous treatment of recombination as a constant rate, the new models show significant changes in ionization and temperature, and correspondingly, in emergent spectra. With the new rates, we find that Zr (Z = 40) plays a yet more dominant role in kilonova spectra for light r-process compositions. Further, we show that previously predicted mid-infrared (e.g. [Se III] 4.55 mum) and optical (e.g. Rb I 7802, 7949 {\AA}) lines weaken in the new model. Instead [Se I] 5.03 mum emerges as a signature. These results demonstrate the importance of considering the detailed microphysics for modelling and interpreting the late-time kilonova spectra.

astro-ph.HE↗

arXiv2024

Actinide signatures in low electron fraction kilonova ejecta

Neutron star (NS) mergers are known to produce heavy elements through rapid neutron capture (r-process) nucleosynthesis. Actinides are expected to be created solely by the r-process in the most neutron rich environments. Confirming if NS mergers provide the requisite conditions for actinide creation is therefore central to determining their origin in the Universe. Actinide signatures in kilonova (KN) spectra may yield an answer, provided adequate models are available in order to interpret observational data. In this study, we investigate actinide signatures in neutron rich merger ejecta. We use three ejecta models with different compositions and radioactive power, generated by nucleosynthesis calculations using the same initial electron fraction ($Y_e = 0.15$) but with different nuclear physics inputs and thermodynamic expansion history. These are evolved from 10 - 100 days after merger using the SUMO non-local thermodynamic equilibrium (NLTE) radiative transfer code. We highlight how uncertainties in nuclear properties, as well as choices in thermodynamic trajectory, may yield entirely different outputs for equal values of $Y_e$. We consider an actinide-free model and two actinide-rich models, and find that the emergent spectra and lightcurve evolution are significantly different depending on the amount of actinides present, and the overall decay properties of the models. We also present potential key actinide spectral signatures, of which doubly ionized $_{89}$Ac and $_{90}$Th may be particularly interesting as spectral indicators of actinide presence in KN ejecta.

astro-ph.HE↗

arXiv2024

Targeted optimization in small-scale atomic structure calculations: application to Au I

The lack of reliable atomic data can be a severe limitation in astrophysical modelling, in particular of events such as kilonovae that require information on all neutron-capture elements across a wide range of ionization stages. Notably, the presence of non-orthonormalities between electron orbitals representing configurations that are close in energy can introduce significant inaccuracies in computed energies and transition probabilities. Here, we propose an explicit targeted optimization method that can effectively circumvent this concern while retaining an orthonormal orbital basis set. We illustrate this method within the framework of small-scale atomic structure models of Au I, using the GRASP2018 multiconfigurational Dirac-Hartree-Fock atomic structure code. By comparing to conventional optimization schemes we show how a targeted optimization approach improves the energy level positioning and ordering. Targeted optimization also leads to better agreement with experimental data for the strongest E1 transitions. This illustrates how small-scale models can be significantly improved with minor computational costs if orbital non-orthonormalities are considered carefully. These results should prove useful to multi-element atomic structure calculations in, for example, astrophysical opacity applications involving neutron-capture elements.

physics.atom-ph↗

arXiv2023

NLTE Spectra of Kilonovae

The electromagnetic transient following a binary neutron star merger is known as a kilonova (KN). Owing to rapid expansion velocities and small ejecta masses, KNe rapidly transition into the Non-Local Thermodynamic Equilibrium (NLTE) regime. In this study, we present synthetic NLTE spectra of KNe from 5 to 20 days after merger using the \texttt{SUMO} spectral synthesis code. We study three homogeneous composition, 1D multi-zone models with characteristic electron fractions of $Y_e \sim 0.35, 0.25$ and $0.15$. We find that emission features in the spectra tend to emerge in windows of reduced line blocking, as the ejecta are still only partially transparent even at 20 days. For the $Y_e \sim 0.35$ (lanthanide-free) ejecta, we find that the neutral and singly ionised species of Rb, Sr, Y and Zr dominate the spectra, all with good potential for identification. We directly test and confirm an impact of Sr on the 10000 angstrom spectral region in lanthanide-free ejecta, but also see that its signatures may be complex. We suggest the Rb I $\rm{5p^{1}}$- $\rm{5s^{1}}$ 7900 angstrom transition as a candidate for the $\lambda_0 \sim$ 7500--7900 angstrom P-Cygni feature in AT2017gfo. For the $Y_e \sim 0.25$ and $0.15$ compositions, lanthanides are dominant in the spectral formation, in particular Nd, Sm, and Dy. We identify key processes in KN spectral formation, notably that scattering and fluorescence play important roles even up to 20 days after merger, implying that the KN ejecta are not yet optically thin at this time.

astro-ph.HE↗

arXiv2023

Extended MCDHF calculations of energy levels and transition data for N I

Accurate and extensive atomic data are essential for spectroscopic analyses of stellar atmospheres and other astronomical objects. We present energy levels, lifetimes, and transition probabilities for neutral nitrogen, the sixth most abundant element in the cosmos. The calculations employ the fully relativistic multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction methods, and span the 103 lowest states up to and including 2s$^2$2p$^2$5s. Our theoretical energies are in excellent agreement with the experimental data, with an average relative difference of 0.07%. In addition, our transition probabilities are in good agreement with available experimental and theoretical data. We further verify the agreement of our data with experimental results via a re-analysis of the solar nitrogen abundance, with the results from the Babushkin and Coulomb gauges consistent to 2% or 0.01 dex. We estimated the uncertainties of the computed transition data based on a statistical analysis of the differences between the transition rates in Babushkin and Coulomb gauges. Out of the 1701 computed electric dipole transitions in this work, 83 (536) are associated with uncertainties less than 5% (10%).

physics.atom-ph↗

arXiv2022

NLTE Effects on Kilonova Expansion Opacities

A binary neutron star merger produces a rapidly evolving transient known as a kilonova (KN), which peaks a few days after merger. Modelling of KNe has often been approached assuming local thermodynamic equilibrium (LTE) conditions in the ejecta. We present the first analysis of non-local thermodynamic equilibrium (NLTE) level populations, using the spectral synthesis code SUMO, and compare these to LTE values. We investigate the importance of the radiation field by conducting NLTE excitation calculations with and without radiative transfer. Level populations, in particular higher lying ones, start to show deviations from LTE a few days after merger. Excitation is lower in NLTE for the majority of ions and states, and this tends to give lower expansion opacities. While the difference is small for the first few days, it grows to factors 2-10 after this. Our results are important both for demonstrating validity of LTE expansion opacities for an initial phase (few days), while highlighting the need for NLTE modelling during later phases. Considering also NLTE ionisation, our results indicate that NLTE can give both higher or lower opacities, depending on composition and wavelength, sometimes by orders of magnitudes.

astro-ph.HE↗

arXiv2021

On the Validity of Steady-State for Nebular Phase Kilonovae

The radioactively powered transient following a binary neutron star (BNS) merger, known as a kilonova (KN), is expected to enter the steady-state nebular phase a few days after merger. Steady-state holds until thermal reprocessing time-scales become long, at which point the temperature and ionisation states need to be evolved time-dependently. We study the onset and significance of time-dependent effects using the non-local thermodynamic equilibrium (NLTE) spectral synthesis code SUMO. We employ a simple single-zone model with an elemental composition of Te, Ce, Pt and Th, scaled to their respective solar abundances. The atomic data are generated using the Flexible Atomic Code (FAC), and consist of energy levels and radiative transitions, including highly forbidden lines. We explore the KN evolution from 5 to 100 days after merger, varying ejecta mass and velocity. We also consider variations in the degree of electron magnetic field trapping, as well as radioactive power generation for alpha and beta decay (but omitting fission products). We find that the transition time, and magnitude of steady-state deviations are highly sensitive to these parameters. For typical KN ejecta, the deviations are minor within the time-frame studied. However, low density ejecta with low energy deposition show significant differences from $\sim 10$ days. Important deviation of the ionisation structure solution impacts the temperature by altering the overall line cooling. Adiabatic cooling becomes important at $t \geq 60$ days which, in addition to the temperature and ionisation effects, lead to the bolometric light curve deviating from the instantaneous radioactive power deposited.

astro-ph.HE↗

arXiv2020

Mutual neutralisation in Li$^+$+H$^-$/D$^-$ and Na$^+$+H$^-$/D$^-$ collisions: Implications of experimental results for non-LTE modelling of stellar spectra

Advances in merged-beams instruments have allowed experimental studies of the mutual neutralisation (MN) processes in collisions of both Li$^+$ and Na$^+$ ions with D$^-$ at energies below 1 eV. These experimental results place constraints on theoretical predictions of MN processes of Li$^+$ and Na$^+$ with H$^-$, important for non-LTE modelling of Li and Na spectra in late-type stars. We compare experimental results with calculations for methods typically used to calculate MN processes, namely the full quantum (FQ) approach, and asymptotic model approaches based on the linear combination of atomic orbitals (LCAO) and semi-empirical (SE) methods for deriving couplings. It is found that FQ calculations compare best overall with the experiments, followed by the LCAO, and the SE approaches. The experimental results together with the theoretical calculations, allow us to investigate the effects on modelled spectra and derived abundances and their uncertainties arising from uncertainties in the MN rates. Numerical experiments in a large grid of 1D model atmospheres, and a smaller set of 3D models, indicate that neglect of MN can lead to abundance errors of up to 0.1 dex (26\%) for Li at low metallicity, and 0.2 dex (58\%) for Na at high metallicity, while the uncertainties in the relevant MN rates as constrained by experiments correspond to uncertainties in abundances of much less than 0.01~dex (2\%). This agreement for simple atoms gives confidence in the FQ, LCAO and SE model approaches to be able to predict MN with the accuracy required for non-LTE modelling in stellar atmospheres.

astro-ph.SR↗

arXiv2020

A first spectroscopic measurement of the magnetic field strength for an active region of the solar corona

For all involved in astronomy, the importance of monitoring and determining astrophysical magnetic field strengths is clear. It is also a well-known fact that the corona magnetic fields play an important part in the origin of solar flares and the variations of space weather. However, after many years of solar corona studies, there is still no direct and continuous way to measure and monitor the solar magnetic field strength. We will here present a scheme which allows such a measurement, based on a careful study of an exotic class of atomic transitions known as magnetic induced transitions in Fe$^{9+}$. In this contribution we present a first application of this methodology and determine a value of the coronal field strength using the spectroscopic data from HINODE.

physics.atom-ph↗

arXiv2020

Carbon monoxide formation and cooling in supernovae

The inclusion of molecular physics is an important piece that tends to be missing from the puzzle when modeling the spectra of supernovae (SNe). Molecules have both a direct impact on the spectra, particularly in the infrared, and an indirect one as a result of their influence on certain physical conditions, such as temperature. In this paper, we aim to investigate molecular formation and non-local thermodynamic equilibrium (NLTE) cooling, with a particular focus on CO, the most commonly detected molecule in supernovae. We also aim to determine the dependency of supernova chemistry on physical parameters and the relative sensitivity to rate uncertainties. We implemented a chemical kinetic description of the destruction and formation of molecules into the SN spectral synthesis code SUMO. In addition, selected molecules were coupled into the full NLTE level population framework and, thus, we incorporated molecular NLTE cooling into the temperature equation. We produced a test model of the CO formation in SN 1987A between 150 and 600 days and investigated the sensitivity of the resulting molecular masses to the input parameters. We find that there is a close inter-dependency between the thermal evolution and the amount of CO formed, mainly through an important temperature-sensitive CO destruction process with O+. After a few hundred days, CO completely dominates the cooling of the oxygen-carbon zone of the supernova which, therefore, contributes little optical emission. The uncertainty of the calculated CO mass scales approximately linearly with the typical uncertainty factor for individual rates. We demonstrate how molecular masses can potentially be used to constrain various physical parameters of the supernova.

astro-ph.SR↗

arXiv2020

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral manganese and titanium

Data for inelastic processes due to hydrogen atom collisions with manganese and titanium are needed for accurate modeling of the corresponding spectra in late-type stars. In this work excitation and charge transfer in low-energy Mn+H and Ti+H collisions have been studied theoretically using a method based on an asymptotic two-electron linear combination of an atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model to treat the dynamics. Extensive calculations of charge transfer (mutual neutralization, ion-pair production), excitation and de-excitation processes in the two collisional systems are carried out for all transitions between covalent states dissociating to energies below the first ionic limit and the dominating ionic states. Rate coefficients are determined for temperatures in the range 1000 - 20 000 K in steps of 1000 K. Like for earlier studies of other atomic species, charge transfer processes are found to lead to much larger rate coefficients than excitation processes.

astro-ph.SR↗

arXiv2016

Resolving a discrepancy between experimental and theoretical lifetimes in atomic negative ions

Recently the lifetime of the excited $^{2}P_{1/2}$-state of S$^-$ was measured to be $503\pm 54$ s (Bäckström et al. Phys. Rev. Lett. 114, 143003 (2015)). The earlier theoretical lifetime of $436$ s was clearly outside the experimental error bars. To investigate this discrepancy we have performed systematic and large-scale multiconfiguration Dirac-Hartree-Fock calculations for this system. After including a careful treatment of correlation and relativistic effects, we predict a well-converged value of $492$ s for this lifetime, with an uncertainty considerably less than 1%, thereby removing the apparent conflict between theory and experiment. We also show that this result corresponds to the non-relativistic limit in the $LS$-approximation for the M1 transition within this $^2P$ term. We also demonstrate the usefulness of the latter approach for $^2P$ transitions in O$^-$, Se$^-$ and Te$^-$, as well as for analogous M1 transitions within $^2D$ terms in Ni$^-$ and Pt$^-$ ions.

physics.atom-ph↗

arXiv2015

A Novel Method to Determine Magnetic Fields in low-density Plasma e.g. Solar Flares Facilitated Through Accidental Degeneracy of Quantum States in Fe$^{9+}$

We propose a new method to determine magnetic fields, by using the magnetic-field induced electric dipole transition $3p^43d\,^4\mathrm{D}_{7/2}$ $\rightarrow$ $3p^5\, ^2\mathrm{P}_{3/2}$ in Fe$^{9+}$ ions. This ion has a high abundance in astrophysical plasma and is therefore well-suited for direct measurements of even rather weak fields in e.g. solar flares. This transition is induced by an external magnetic field and its rate is proportional to the square of the magnetic field strength. We present theoretical values for what we will label the reduced rate and propose that the critical energy difference between the upper level in this transition and the close to degenerate $3p^43d\, ^4\mathrm{D}_{5/2}$ should be measured experimentally since it is required to determine the relative intensity of this magnetic line for different magnetic fields.

physics.atom-ph↗

arXiv2014

Hyperfine dependent $gf$-values of Mn I lines in the 1.49 $-$ 1.80 $μ$m H-band

The three Mn I lines at 17325, 17339 and 17349 Å~are among the 25 strongest lines ($\log(gf)>0.5$) in the H-band. They are all heavily broadened due to hyperfine structure and the profiles of these lines have so far not been understood. Earlier studies of these lines even suggested that they were blended. In this work, the profiles of these three infra-red (IR) lines have been studied theoretically and compared to experimental spectra to assist in the complete understanding of the solar spectrum in the IR. It is shown that the structure of these lines can not be described in the conventional way by the diagonal $A$ and $B$ hyperfine interaction constants. The off-diagonal hyperfine interaction not only has large impact on the energies of the hyperfine levels, but also introduces a large intensity redistribution among the hyperfine lines, changing the line profiles dramatically. By performing large-scale calculations of the diagonal and off-diagonal hyperfine interaction and $gf$-values between the upper and lower hyperfine levels and using a semi-empirical fitting procedure, agreement between our synthetic and experimental spectra was achieved. Furthermore, we compare our results with observations of stellar spectra. The spectra of the Sun and the K1.5 III red giant star Arcturus were modelled in the relevant region, $1.73-1.74$ $μ$m using our theoretically predicted $gf$-values and energies for each individual hyperfine line. Satisfactory fits were obtained and clear improvements were found using our new data compared with the old available Mn I data. A complete list of energies and $gf$-values for all the $3d^54s({^7S})4d$ e$^{6}$D $-$ $3d^54s({^7S})4f$ w$^{6}$F hyperfine lines are available as supplementary material online, whereas only the stronger lines are presented and discussed in detail in this paper.

astro-ph.SR↗

arXiv2014

Coronal lines and the importance of deep core-valence correlation in Ag-like ions

We report on large-scale and critically evaluated {\em ab initio} MCDHF calculations of the wavelength of the "coronal", M1 transition $4f\ ^2\mathrm{F}_{5/2}^o-^2\mathrm{F}_{7/2}^o$ in Ag-like ions. The transition between these two fine structure levels, which makes up the ground term for $Z \ge 62$ in the isoelectronic sequence, has recently been observed in Yb$^{23+}$ and W$^{27+}$, where the latter could be of great importance for fusion plasma diagnostics. We present recommended values for all members of the sequence between $Z = 50$ and $94$, which are supported by excellent agreement with values from recent experiments. The importance of including core-valence correlation with the $n=3$ shell in the theoretical model is emphasized. The results show close to spectroscopic accuracy for these forbidden lines.

physics.atom-ph↗