arXiv subjects

Phillip C. Stancil

Publications and source records attributed to Phillip C. Stancil.

16 recordsLinked to original sources

arXiv2026

XRISM observations of the Perseus cluster along two arms: Chaotic ICM motions probed by resonant scattering

XRISM has mapped gas velocities across the core of the Perseus cluster, separating the kinematic effects of mergers and AGN feedback. The physical properties of these motions remain unclear: are they a superposition of bulk flows, predominantly random/turbulent motions, or a mixture of both? Without resolving this question, constraints on the nonthermal pressure fraction and heating rate remain uncertain, as both assume predominantly random motions. Unlike emission line broadening, resonant scattering is most sensitive to small-scale, random motions rather than coherent bulk flows. Taking advantage of the extensive XRISM coverage of the Perseus cluster, we detect the full effects of resonant scattering on the Heα w line for the first time. This includes flux suppression in the cluster center, enhancement in the outer regions, and non-Gaussianity in the emission line. We employ radiative transfer simulations to constrain the amplitude of small-scale ICM velocities in the inner 60 kpc of Perseus, finding them to be consistent with the line broadening measurements within the uncertainties. This indicates the observed velocity dispersion is primarily due to small-scale random motions in the central Perseus regions rather than coherent bulk flows. We further explore potential anisotropy of these motions, showing that they are consistent with isotropic or radial motions rather than tangential ones. Longer XRISM observations are required to improve these anisotropy constraints. Finally, we explore azimuthal variations between the two complete radial arms observed by XRISM.

astro-ph.HE↗

arXiv2025

Neural network ensemble for computing cross sections for rotational transitions in H$_{2}$O + H$_{2}$O collisions

Water (H$_2$O) is one of the most abundant molecules in the universe and is found in a wide variety of astrophysical environments. Rotational transitions in H$_2$O + H$_2$O collisions are important in modeling environments rich in water molecules but they are computationally intractable using quantum mechanical methods. Here, we present a machine learning (ML) tool using an ensemble of neural networks (NNs) to predict cross sections to construct a database of rate coefficients for rotationally inelastic transitions in collisions of complex molecules such as water. The proposed methodology utilizes data computed with a mixed quantum-classical theory (MQCT). We illustrate that efficient ML models using NN can be built to accurately interpolate in the space of 12 quantum numbers for rotational transitions in two asymmetric top molecules, spanning both initial and final states. We examine various architectures of data corresponding to each collision energy, symmetry of water molecule, and excitation/de-excitation rotational transitions, and optimize the training/validation data sets. Using only about 10\% of the computed data for training, the NNs predict cross sections of state-to-state rotational transitions of H$_{2}$O + H$_{2}$O collision with average relative root mean square error of 0.409. Thermally averaged cross sections, computed using the predicted state-to-state cross sections ($\sim$90\%) and the data used for training and validation ($\sim$10\%) were compared against those obtained entirely from MQCT calculations. The agreement is found to be excellent with an average percent deviation of about $\sim$13.5\%. The methodology is robust, and thus, applicable to other complex molecular systems.

physics.chem-ph↗

arXiv2018

Perspectives on Astrophysics Based on Atomic, Molecular, and Optical (AMO) Techniques

About two generations ago, a large part of AMO science was dominated by experimental high energy collision studies and perturbative theoretical methods. Since then, AMO science has undergone a transition and is now dominated by quantum, ultracold, and ultrafast studies. But in the process, the field has passed over the complexity that lies between these two extremes. Most of the Universe resides in this intermediate region. We put forward that the next frontier for AMO science is to explore the AMO complexity that describes most of the Cosmos.

physics.atom-ph↗

arXiv2018

Photodissociation of CS from Excited Rovibrational Levels

Accurate photodissociation cross sections have been computed for transitions from the X $^1Σ^+$ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment functions have been obtained for these computations using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pV6Z basis sets. State-resolved cross sections have been computed for transitions from nearly the full range of rovibrational levels of the X $^1Σ^+$ state and for photon wavelengths ranging from 500 $\textÅ$ to threshold. Destruction of CS via predissociation in highly excited electronic states originating from the rovibrational ground state is found to be unimportant. Photodissociation cross sections are presented for temperatures in the range between 1000 and 10,000 K, where a Boltzmann distribution of initial rovibrational levels is assumed. Applications of the current computations to various astrophysical environments are briefly discussed focusing on photodissociation rates due to the standard interstellar and blackbody radiation fields.

physics.atom-ph↗

arXiv2017

Inelastic cross sections and rate coefficients for collisions between CO and H2

A five-dimensional coupled states (5D-CS) approximation is used to compute cross sections and rate coefficients for CO+H2 collisions. The 5D-CS calculations are benchmarked against accurate six-dimensional close-coupling (6D-CC) calculations for transitions between low-lying rovibrational states. Good agreement between the two formulations is found for collision energies greater than 10 cm-1. The 5D-CS approximation is then used to compute two separate databases which include highly excited states of CO that are beyond the practical limitations of the 6D-CC method. The first database assumes an internally frozen H2 molecule and allows rovibrational transitions for v < 5 and j < 30, where v and j are the vibrational and rotational quantum numbers of the initial state of the CO molecule. The second database allows H2 rotational transitions for initial CO states with v < 5 and j < 10. The two databases are in good agreement with each other for transitions that are common to both basis sets. Together they provide data for astrophysical models which were previously unavailable.

astro-ph.IM↗

arXiv2016

Formation of silicon monoxide by radiative association: the impact of resonances

Detailed quantum chemistry calculations within the multireference configuration interaction approximation with the Davidson correction (MRCI+Q) are presented using an aug-cc-pV6Z basis set, for the potential energy curves and transition dipole moments between low lying molecular states of singlet spin symmetry for the SiO molecule. The high quality molecular data are used to obtain radiative association cross sections and rate coefficients for collisions between ground state Si and O atoms. Quantal calculations are compared with semiclassical results. Using a quantum kinetic theory of radiative association in which quasibound levels are assumed to be in local thermodynamic equilibrium, we find that resonances play an important role in enhancing the rate coefficients at low temperatures by several orders of magnitude from that predicted by standard quantum scattering formulations. These new molecular formation rates may have important implications for applications in astrophysics.

physics.atom-ph↗

arXiv2015

Universal quantum simulation with pre-threshold superconducting qubits: Single-excitation subspace method

We propose a method for general-purpose quantum computation and simulation that is well suited for today's pre-threshold-fidelity superconducting qubits. This approach makes use of the $n$-dimensional single-excitation subspace (SES) of a system of $n$ tunably coupled qubits. It can be viewed as a nonscalable special case of the standard gate-based quantum computing model, but allows many operations in the unitary group SU($n$) to be implemented by a single application of the Hamiltonian. Our approach bypasses the need to decompose the evolution operator into elementary gates, making large, nontrivial computations possible without error correction. The method is especially well suited for universal quantum simulation, specifically simulation of the Schrödinger equation with a real but otherwise arbitrary $n \times n$ Hamiltonian. We argue that a 1000-qubit SES processor, which would require no known improvements in superconducting device technology and which could be built today, should be capable of achieving quantum speedup relative to a petaflop supercomputer. We speculate on the utility and practicality of such a universal quantum simulator.

quant-ph↗

arXiv2015

Universal quantum simulation with prethreshold superconducting qubits: Single-excitation subspace method

Current quantum computing architectures lack the size and fidelity required for universal fault-tolerant operation, limiting the practical implementation of key quantum algorithms to all but the smallest problem sizes. In this work we propose an alternative method for general-purpose quantum computation that is ideally suited for such "prethreshold" superconducting hardware. Computations are performed in the n-dimensional single-excitation subspace (SES) of a system of n tunably coupled superconducting qubits. The approach is not scalable, but allows many operations in the unitary group SU(n) to be implemented by a single application of the Hamiltonian, bypassing the need to decompose a desired unitary into elementary gates. This feature makes large, nontrivial quantum computations possible within the available coherence time. We show how to use a programmable SES chip to perform fast amplitude amplification and phase estimation, two versatile quantum subalgorithms. We also show that an SES processor is well suited for Hamiltonian simulation, specifically simulation of the Schrodinger equation with a real but otherwise arbitrary nxn Hamiltonian matrix. We discuss the utility and practicality of such a universal quantum simulator, and propose its application to the study of realistic atomic and molecular collisions.

quant-ph↗

arXiv2014

XMM-Newton Measurement of the Galactic Halo X-ray Emission using a Compact Shadowing Cloud

Observations of interstellar clouds that cast shadows in the soft X-ray background can be used to separate the background Galactic halo emission from the local emission due to solar wind charge exchange (SWCX) and/or the Local Bubble (LB). We present an XMM-Newton observation of a shadowing cloud, G225.60-66.40, that is sufficiently compact that the on- and off-shadow spectra can be extracted from a single field of view (unlike previous shadowing observations of the halo with CCD-resolution spectrometers, which consisted of separate on- and off-shadow pointings). We analyzed the spectra using a variety of foreground models: one representing LB emission, and two representing SWCX emission. We found that the resulting halo model parameters (temperature $T_h \approx 2 \times 10^6$ K, emission measure $E_h \approx 4 \times 10^{-3}$ cm$^{-6}$ pc) were not sensitive to the foreground model used. This is likely due to the relative faintness of the foreground emission in this observation. However, the data do favor the existence of a foreground. The halo parameters derived from this observation are in good agreement with those from previous shadowing observations, and from an XMM-Newton survey of the Galactic halo emission. This supports the conclusion that the latter results are not subject to systematic errors, and can confidently be used to test models of the halo emission.

astro-ph.GA↗

arXiv2014

Can Charge Exchange Explain Anomalous Soft X-ray Emission in the Cygnus Loop?

Recent X-ray studies have shown that supernova shock models are unable to satisfactorily explain X-ray emission in the rim of the Cygnus Loop. In an attempt to account for this anomalously enhanced X-ray flux, we fit the region with a model including theoretical charge exchange (CX) data along with shock and background X-ray models. The model includes the CX collisions of $O^{8+}$, $O{7+}$, $N^{7+}$, $N^{6+}$, $C^{6+}$, and $C^{5+}$ with H with an energy of 1 keV/u (438 km/s). The observations reveal a strong emission feature near 0.7 keV that cannot fully be accounted for by a shock model, nor the current CX data. Inclusion of CX, specifically $O^{7+} + H$, does provide for a statistically significant improvement over a pure shock model.

astro-ph.HE↗

arXiv2014

Quenching of Highly-Rotationally-Excited HCl in Collisions with HE

We report rotational quenching cross sections and rate coefficients of HCl due to collisions with He. The close-coupling method and the coupled-states approximation are applied in quantum-mechanical scattering calculations of state-to-state cross sections for HCl with initial rotational levels up to $j=20$ for kinetic energies from 10$^{-5}$ to 15000 cm$^{-1}$. State-to-state rate coefficients for temperature between 0.1 and 3000 K are also presented. Comparison of the present rate coefficients with previous results reported in the literature for lowly-excited rotational levels shows reasonable agreement. Small differences are attributed to the differences in the interaction potential energy surfaces. The uncertainty in the computed cross sections and rate coefficients is estimated by varying the potential well depth. Applications of current results to astrophysical systems are also briefly discussed.

astro-ph.SR↗

arXiv2010

Quantum Simulation of Molecular Collisions with Superconducting Qubits

We introduce a protocol for the fast simulation of $n$-dimensional quantum systems on $n$-qubit quantum computers with tunable couplings. A mapping is given between the control parameters of the quantum computer and the matrix elements of $H_{\rm s}(t)$, an arbitrary, real, time-dependent $n\times n$ dimensional Hamiltonian that is simulated in the $n$-dimensional `single excitation' subspace of the quantum computer. A time-dependent energy/time rescaling minimizes the simulation time on hardware having a fixed coherence time. We demonstrate how three tunably coupled phase qubits simulate a three-channel molecular collision using this protocol, then study the simulation's fidelity as a function of total simulation time.

quant-ph↗

arXiv2009

The ion-induced charge-exchange X-ray emission of the Jovian Auroras: Magnetospheric or solar wind origin?

A new and more comprehensive model of charge-exchange induced X-ray emission, due to ions precipitating into the Jovian atmosphere near the poles, has been used to analyze spectral observations made by the Chandra X-ray Observatory. The model includes for the first time carbon ions, in addition to the oxygen and sulfur ions previously considered, in order to account for possible ion origins from both the solar wind and the Jovian magnetosphere. By comparing the model spectra with newly reprocessed Chandra observations, we conclude that carbon ion emission provides a negligible contribution, suggesting that solar wind ions are not responsible for the observed polar X-rays. In addition, results of the model fits to observations support the previously estimated seeding kinetic energies of the precipitating ions (~0.7-2 MeV/u), but infer a different relative sulfur to oxygen abundance ratio for these Chandra observations.

astro-ph.HE↗

arXiv2005

Modelling Alkali Line Absorption and Molecular Bands in Cool DAZs

Two peculiar stars showing an apparent extremely broadened and strong NaI D absorption have been discovered in surveys for cool white dwarfs by Oppenheimer et al. (2001) and Harris et al. (SDSS, 2003). We discuss the nature of these objects using PHOENIX atmosphere models for metal-poor brown dwarfs/very low mass stars, and new white dwarf LTE and NLTE models for hydrogen- and helium-dominated atmospheres with metals. These include complete molecular formation in chemical equilibrium and a model for the alkali resonance line broadening based on the damping profiles of Allard et al. (2003), as well as new molecular line opacities for metal hydrides. First results of our calculations indicate good agreement with a hydrogen-dominated WD atmosphere with a Na abundance roughly consistent with a state of high accretion. We analyse deviations of the abundances of Na, K, Mg and Ca from the cosmic pattern and comment on implications of these results for standard accretion scenarios.

astro-ph↗

arXiv2004

Rate Coefficient for H^+ + H_2(X ^1Sigma_g^+, nu=0, J=0) --> H(1s) + H_2^+ Charge Transfer and Some Cosmological Implications

Krstic has carried out the first quantum mechanical calculations near threshold for the charge transfer (CT) process H^+ + H_2(X ^1Sigma_g^+, nu=0, J=0) --> H(1s) + H_2^+. These results are relevant for models of primordial galaxy and first star formation that require reliable atomic and molecular data for obtaining the early universe hydrogen chemistry. Using the results of Krstic, we calculate the relevant CT rate coefficient for temperatures between 100 and 30,000 K. We also present a simple fit which can be readily implemented into early universe chemical models. Additionally, we explore how the range of previously published data for this reaction translates into uncertainties in the predicted gas temperature and H_2 relative abundance in a collapsing primordial gas cloud. Our new data significantly reduce these cosmological uncertainties that are due to the uncertainties in the previously published CT rate coefficients.

astro-ph↗

arXiv2002

Non-LTE Effects of Na I in the Atmosphere of HD209458b

The recent announcement that sodium absorption has been observed in the atmosphere of HD209458b, the only EGP observed to transit its parent star, is the first direct detection of an EGP atmosphere. We explore the possibility that neutral sodium is {\em not} in local thermodynamic equilibrium (LTE) in the outer atmosphere of irradiated EGPs and that the sodium concentration may be underestimated by models that make the LTE assumption. Our results indicate that it may not be necessary to invoke excessive photoionization, low metallicity, or even high altitude clouds to explain the observations.

astro-ph↗