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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Distance-dependent dielectric constant at the calcite/electrolyte interface: Implication for surface complexation modeling

Hypothesis: The electrical double layer formed at the mineral/electrolyte interface is often modeled using mean-field approaches based on a continuum description of the solvent whose dielectric constant is assumed to decrease monotonically with decreasing distance to the surface. In contrast, molecular simulations show that the solvent polarizability oscillates near the surface similar to the water density profile - as shown previously, for example, by Bonthuis et al. (D.J. Bonthuis, S. Gekle, R.R. Netz, Dielectric Profile of Interfacial Water and its Effect on Double-Layer Capacitance, Phys Rev Lett 107(16) (2011) 166102). Here, we showed that molecular and mesoscale pictures agree by spatially averaging the dielectric constant obtained from molecular dynamics simulations over the distances relevant to the mean-field representation. In addition, the values of capacitances used to describe the electrical double layer in Surface Complexation Models (SCMs) of the mineral/electrolyte interface can be estimated using molecularly informed spatially averaged dielectric constants and positions of hydration layers. Experiments: First, we used molecular dynamics simulations to model the calcite 101¯4/electrolyte interface. Next, by using atomistic trajectories, we calculated the distance-dependent static dielectric constant and water density in the direction normal to the. Finally, we applied spatial compartmentalization consistent with the model of parallel-plate capacitors connected in series to estimate SCM capacitances. Findings: Computationally expensive simulations are required to determine the dielectric constant profile of interfacial water near the mineral surface. On the other hand, water density profiles are readily assessable from much shorter simulation trajectories. Our simulations confirmed that dielectric and water density oscillations at the interface are correlated. Here, we parametrized linear regression models to estimate the dielectric constant directly from the local water density. This is a significant computational shortcut compared to slowly converging calculations relying on total dipole moment fluctuations. The amplitude of the interfacial dielectric constant oscillation can exceed the dielectric constant of the bulk water, suggesting an ice-like frozen state, but only if there are no electrolyte ions. The interfacial accumulation of electrolyte ions causes a decrease in the dielectric constant due to the reduction of water density and re-orientation of water dipoles in ion hydration shells. Finally, we show how to use the computed dielectric properties to estimate SCM's capacitances.

58 GEOSCIENCES↗
DOE OSTI2023

Solvent Dynamics Are Critical to Understanding Carbon Dioxide Dissolution and Hydration in Water

Simulations of carbon dioxide (CO 2 ) in water may aid in understanding the impact of its accumulation in aquatic environments and help advance technologies for carbon capture and utilization (via, e.g., mineralization). Quantum mechanical (QM) simulations based on static molecular models with polarizable continuum solvation poorly reproduce the energetics of CO 2 hydration to form carbonic acid in water, independent of the level of QM theory employed. Only with density-functional-theory-based molecular dynamics and rare-event sampling, followed by energy corrections based on embedded correlated wavefunction theory (in conjunction with density functional embedding theory), can a close agreement between theory and experiment be achieved. Such multilevel simulations can serve as benchmarks for simpler, less costly models, giving insight into potential errors of the latter. The strong influence of sampling/averaging over dynamical solvent configurations on the energetics stems from the difference in polarity of both the transition state and product (both polar) versus the reactant (nonpolar). When a solute undergoes a change in polarity during reaction, affecting its interaction with the solvent, careful assessment of the energetic contribution of the solvent response to this change is critical. Here, we show that static models (without structural sampling) that incorporate three explicit water molecules can yield far superior results than models with more explicit water molecules because fewer water molecules yield less configurational artifacts. Static models intelligently incorporating both explicit (molecules directly participating in the reaction) and implicit solvation, along with a proper QM theory, e.g., CCSD(T) for closed-shell systems, can close the accuracy gap between static and dynamic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Calculation and interpretation of classical turning surfaces in solids

Abstract Classical turning surfaces of Kohn–Sham potentials separate classically allowed regions (CARs) from classically forbidden regions (CFRs). They are useful for understanding many chemical properties of molecules but need not exist in solids, where the density never decays to zero. At equilibrium geometries, we find that CFRs are absent in perfect metals, rare in covalent semiconductors at equilibrium, but common in ionic and molecular crystals. In all materials, CFRs appear or grow as the internuclear distances are uniformly expanded. They can also appear at a monovacancy in a metal. Calculations with several approximate density functionals and codes confirm these behaviors. A classical picture of conduction suggests that CARs should be connected in metals, and disconnected in wide-gap insulators, and is confirmed in the limits of extreme compression and expansion. Surprisingly, many semiconductors have no CFR at equilibrium, a key finding for density functional construction. Nonetheless, a strong correlation with insulating behavior can still be inferred. Moreover, equilibrium bond lengths for all cases can be estimated from the bond type and the sum of the classical turning radii of the free atoms or ions.

Chemistry↗
DOE OSTI2023

Spin-crossover complexes: Self-interaction correction vs density correction

Complexes containing a transition metal atom with a 3d 4 –3d 7 electron configuration typically have two low-lying, high-spin (HS) and low-spin (LS) states. The adiabatic energy difference between these states, known as the spin-crossover energy, is small enough to pose a challenge even for electronic structure methods that are well known for their accuracy and reliability. In this work, we analyze the quality of electronic structure approximations for spin-crossover energies of iron complexes with four different ligands by comparing energies from self-consistent and post-self-consistent calculations for methods based on the random phase approximation and the Fermi–Löwdin self-interaction correction. Considering that Hartree–Fock densities were found by Song et al., J. Chem. Theory Comput. 14, 2304 (2018), to eliminate the density error to a large extent, and that the Hartree–Fock method and the Perdew–Zunger-type self-interaction correction share some physics, we compare the densities obtained with these methods to learn their resemblance. Here, we find that evaluating non-empirical exchange-correlation energy functionals on the corresponding self-interaction-corrected densities can mitigate the strong density errors and improves the accuracy of the adiabatic energy differences between HS and LS states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Satellite-based aerosol optical depth estimates over the continental U.S. during the 2020 wildfire season: Roles of smoke and land cover

Wildfires produce smoke that can affect an area >1000 times the burn extent, with far-reaching human health, ecologic, and economic impacts. Accurately estimating aerosol load within smoke plumes is therefore crucial for understanding and mitigating these impacts. We evaluated the effectiveness of the latest Collection 6.1 MODIS Multi-Angle Implementation of Atmospheric Correction (MAIAC) algorithm in estimating aerosol optical depth (AOD) across the U.S. during the historic 2020 wildfire season. We compared satellite-based MAIAC AOD to ground-based AERONET AOD measurements during no-, light-, medium-, and heavy-smoke conditions identified using the Hazard Mapping System Fire and Smoke Product. This smoke product consists of maximum extent smoke polygons digitized by analysts using visible band imagery and classified according to smoke density. We also examined the strength of the correlations between satellite- and ground-based AOD for major land cover types under various smoke density levels. MAIAC performed well in estimating AOD during smoke-affected conditions. Correlations between MAIAC and AERONET AOD were strong for medium- (r = 0.91) and heavy-smoke (r = 0.90) density, and MAIAC estimates of AOD showed little bias relative to ground-based AERONET measurements (normalized mean bias = 3 % for medium, 5 % for heavy smoke). During two high AOD, heavy smoke episodes, MAIAC underestimated ground-based AERONET AOD under mixed aerosol (i.e., smoke and dust; median bias = −0.08) and overestimated AOD under smoke-dominated (median bias = 0.02) aerosol. MAIAC most overestimated ground-based AERONET AOD over barren land (mean NMB = 48 %). Our findings indicate that MODIS MAIAC can provide robust estimates of AOD as smoke density increases in coming years. Increased frequency of mixed aerosol and expansion of developed land could affect the performance of the MAIAC algorithm in the future, however, with implications for evaluating wildfire-associated health and welfare effects and air quality standards.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Observation of quasi-coherent density fluctuation in scrape-off layer enhancing boundary transport in high-βN hybrid plasmas on DIII-D

In this work, we report the observation of a quasi-coherent density fluctuation (QCF) by the Doppler backscattering system in the scrape-off layer (SOL) region of the DIII-D tokamak. This QCF is observed in high power, high performance hybrid plasmas with near double-null divertor (DND) shape during the electron cyclotron heating period. This mode is correlated with a steepened SOL density profile, and leads to significantly elevated particle and heat fluxes between ELMs. The SOL QCF is a long-wavelength ion-scale fluctuation (k θ ρ s ≈0.2-0.4 and k r ρ s ≈0.03), and propagates in the ion diamagnetic direction in the plasma frame. Its radial expanse is about 1.5–2 cm, well beyond the typical width of heat flux λ q on DIII-D. Also, the SOL QCF does not show any clear dependence on the effective SOL collisionality, and thus may raise issues on the control of plasma-material interactions in low collisionality plasmas in which the blob-induced transport is reduced. A linear simulation using BOUT++ with a 5-field reduced model is performed and compared with experimental observations. In simulation results, an interchange-like density perturbation can be driven by the SOL density gradient, and its peak location and the radial width of the density perturbation are in agreement with the experimental observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Macroscopic Traffic Modeling Using Probe Vehicle Data: A Machine Learning Approach

Abstract The macroscopic fundamental diagram (MFD) captures an orderly relationship among traffic flow, density, and speed at the network level. It is a simple yet powerful tool for modeling traffic dynamics in large urban networks with broad application in traffic control and management. However, empirically derived MFDs in urban regions require high-resolution traffic data from the network. Having the network flow and vehicular density estimated at the (granular) census tract level using vehicle probe data, we apply machine learning methods to predict the MFDs across U.S. urban areas and capture the impacts of location-specific input features on the network flow–density relationships at a large scale. The results show that, among the four tested machine learning approaches (Random Forest, XGBoost, Support Vector Machine, and Neural Network), XGBoost delivers the best performance in predicting network traffic flow based on vehicular density and location attributes. Using interaction Shapley Additive explanation (SHAP) values and partial correlation analysis, we examine the factors influencing MFD shapes across different locations. Our empirical findings reveal that across U.S. urban areas, network topology, transportation infrastructure, and land use are primary factors shaping MFD curves, while demand and trip-related factors play a lesser role. Specifically, higher ranking roads, centrality, and development levels correlate positively with network capacity and critical density, whereas negative associations are observed for network connectivity, mixed-use development, and road roughness levels.

Jin, Ling↗
DOE OSTI2022

Information content of the differences in the charge radii of mirror nuclei

Differences in the charge radii of mirror nuclei have been recently suggested to contain information on the slope of the symmetry energy L. To test this hypothesis, we perform statistical correlation analysis using quantified energy density functionals that are consistent with our previous knowledge on global nuclear observables such as binding energies and charge radii. We conclude that the difference in charge radii between a mirror pair, $ΔR$$^{mir}_{ch}$, is an inferior isovector indicator compared to other observables, such at the neutron skin or electric dipole polarizability α D . In particular, this quantity correlates poorly with both the neutron skin and L. Here, we demonstrate that $ΔR$$^{mir}_{ch}$ is influenced by pairing correlations in the presence of low-lying proton continuum in the proton-rich mirror-partner nucleus. Considering the large theoretical uncertainties on $ΔR$$^{mir}_{ch}$, we conclude that the precise data on mirror charge radii cannot provide a stringent constraint on L.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

The HOSTS Survey for Exozodiacal Dust: Observational Results from the Complete Survey

The Large Binocular Telescope Interferometer (LBTI) enables nulling interferometric observations across the N band (8 to 13 μm) to suppress a star’s bright light and probe for faint circumstellar emission. We present and statistically analyze the results from the LBTI/Hunt for Observable Signatures of Terrestrial Systems survey for exozodiacal dust. By comparing our measurements to model predictions based on the solar zodiacal dust in the N band, we estimate a 1σ median sensitivity of 23 zodis times the solar system dust surface density in its habitable zone (HZ; 23 zodis) for early-type stars and 48 zodis for Sun-like stars, where 1 zodi is the surface density of HZ dust in the solar system. Of the 38 stars observed, 10 show significant excess. A clear correlation of our detections with the presence of cold dust in the systems was found, but none with the stellar spectral type or age. The majority of Sun-like stars have relatively low HZ dust levels (best-fit median: 3 zodis, 1σ upper limit: 9 zodis, 95% confidence: 27 zodis based on our N band measurements), while ~20% are significantly more dusty. The solar system’s HZ dust content is consistent with being typical. Our median HZ dust level would not be a major limitation to the direct imaging search for Earth-like exoplanets, but more precise constraints are still required, in particular to evaluate the impact of exozodiacal dust for the spectroscopic characterization of imaged exo-Earth candidates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Intrinsic correlations among characteristics of neutron-rich matter imposed by the unbound nature of pure neutron matter

The unbound nature of pure neutron matter (PNM) requires intrinsic correlations between the symmetric nuclear matter (SNM) EOS parameters (incompressibility K 0 , skewness J 0 and kurtosis I 0 ) and those (slope L, curvature K sym and skewness J sym ) characterizing the symmetry energy independent of any nuclear many-body theory. We investigate these intrinsic correlations and their applications in better constraining the poorly known high-density behavior of nuclear symmetry energy. Several novel correlations connecting the characteristics of SNM EOS with those of nuclear symmetry energy are found. In particular, at the lowest-order of approximations, the bulk parts of the slope L, curvature K sym and skewness J sym of the symmetry energy are found to be L ≈ K 0 /3, K sym ≈ LJ 0 /2K 0 and J sym ≈ I 0 L/3K 0 , respectively. High-order corrections to these simple relations can be written in terms of the small ratios of high-order EOS parameters. The resulting intrinsic correlations among some of the EOS parameters reproduce very nicely their relations predicted by various microscopic nuclear many-body theories and phenomenological models constrained by available data of terrestrial experiments and astrophysical observations in the literature. Here, the unbound nature of PNM is fundamental and the required intrinsic correlations among the EOS parameters characterizing both the SNM EOS and symmetry energy are universal. These intrinsic correlations provide a novel and model-independent tool not only for consistency checks but also for investigating the poorly known high-density properties of neutron-rich matter by using those with smaller uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various density functional theory packages

We report Dynamical Mean Field Theory (DMFT) is a successful method to compute the electronic structure of strongly correlated materials, especially when it is combined with density functional theory (DFT). Here, we present an open-source computational package (and a library) combining DMFT with various DFT codes interfaced through the Wannier90 package. The correlated subspace is expanded as a linear combination of Wannier functions introduced in the DMFT approach as local orbitals. In particular, we provide a library mode for computing the DMFT density matrix. This library can be linked and then internally called from any DFT package, assuming that a set of localized orbitals can be generated in the correlated subspace. The existence of this library allows developers of other DFT codes to interface with our package and achieve the charge-self-consistency within DFT+DMFT loops. To test and check our implementation, we computed the density of states and the band structure of well-known solid-state correlated materials, namely LaNiO, SrVO, and NiO. The obtained results are compared to those obtained from other DFT+DMFT implementations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Effects of frequency and pulse width on electron density, hydrogen peroxide generation, and perfluorooctanoic acid mineralization in a nanosecond pulsed discharge gas-liquid plasma reactor

Plasma electron density and temperature were characterized in a continuous flowing gas-liquid film reactor with argon carrier gas by time-resolved optical emission spectroscopy. The plasma parameters were studied as a function of time for varying pulse widths and frequencies. Pulse frequency was varied between 1 and 10 kHz at 16 kV (input voltage) and 40 ns (pulse width) using an Eagle Harbor Technologies, Inc. (EHT) power supply and 5–100 kHz using an Airity Technologies, LLC (AT) power supply. The pulse width was varied between 40 and 200 ns at 16 kV, 2 kHz with the EHT power supply. Optimal frequencies of 5 and 20 kHz were observed for peak electron density with EHT and AT power supplies, respectively. The peak electron density increased with increasing pulse width between 40 and 200 ns using the EHT power supply. Hydrogen peroxide exiting the reactor in the liquid phase increased with discharge power irrespective of the power supply or pulse parameters. Mineralization of 12.5, 50, and 200 ppm perfluorooctanoic acid (PFOA) dissolved in DI water to fluoride (F - ) correlated to the peak electron density. Glycerol, a liquid-phase hydroxyl radical scavenger, depleted hydrogen peroxide but did not affect PFOA mineralization. CO, a gas-phase hydroxyl radical scavenger, led to a reduction in the formation of F - production, suggesting hydroxyl radicals in the gas-liquid film play a necessary, but not singular, role in mineralization of PFOA.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Atacama Cosmology Telescope: Modeling the gas thermodynamics in BOSS CMASS galaxies from kinematic and thermal Sunyaev-Zel’dovich measurements

The thermal and kinematic Sunyaev-Zel'dovich effects (tSZ, kSZ) probe the thermodynamic properties of the circumgalactic and intracluster medium (CGM and ICM) of galaxies, groups, and clusters, since they are proportional, respectively, to the integrated electron pressure and momentum along the line-of-sight. We present constraints on the gas thermodynamics of CMASS galaxies in the Baryon Oscillation Spectroscopic Survey (BOSS) using new measurements of the kSZ and tSZ signals obtained in a companion paper. Combining kSZ and tSZ measurements, we measure within our model the amplitude of energy injection $\epsilon M_\star c^2$, where $M_\star$ is the stellar mass, to be $\epsilon=(40\pm9)\times10^{-6}$, and the amplitude of the non-thermal pressure profile to be $\alpha_{\rm Nth}<0.2$ (2$\sigma$), indicating that less than 20% of the total pressure within the virial radius is due to a non-thermal component. We estimate the effects of including baryons in the modeling of weak-lensing galaxy cross-correlation measurements using the best fit density profile from the kSZ measurement. Our estimate reduces the difference between the original theoretical model and the weak-lensing galaxy cross-correlation measurements in arXiv:1611.08606 by half, but does not fully reconcile it. Comparing the kSZ and tSZ measurements to cosmological simulations, we find that they under predict the CGM pressure and to a lesser extent the CGM density at larger radii. This suggests that the energy injected via feedback models in the simulations that we compared against does not sufficiently heat the gas at these radii. We do not find significant disagreement at smaller radii. These measurements provide novel tests of current and future simulations. Here, this work demonstrates the power of joint, high signal-to-noise kSZ and tSZ observations, upon which future cross-correlation studies will improve.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations

Density functional approximations are known to significantly overestimate the polarizabilities of long chain-like molecules. We study the static electric dipole polarizabilities and the vertical ionization potentials of polyacenes from benzene to pentacene using the Fermi-L\"owdin orbital based self-interaction corrected (FLOSIC) density functional method. The orbital-by-orbital self-interaction correction corrects for the overestimation tendency of density functional approximations. The polarizabilities calculated with FLOSIC-DFA are however overly corrected. We also tested the recently developed locally-scaled self-interaction correction (LSIC) method on the polyacenes. The local-scaling method applies full SIC in the one-electron regions and restores the proper behavior of the SIC exchange-correlation functionals in the uniform density limit. The results show that LSIC removes the overcorrection tendency of the FLOSIC-DFA and produces results that are in excellent agreement with reference CCSD values. The vertical ionization potentials with LSIC also show good agreement with available experimental values.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Evidence for a high-energy tail in the gamma-ray spectra of globular clusters

Millisecond pulsars are very likely the main source of gamma-ray emission from globular clusters. However, the relative contributions of two separate emission processes – curvature radiation from millisecond pulsar magnetospheres versus inverse Compton emission from relativistic pairs launched into the globular cluster environment by millisecond pulsars – have long been unclear. To address this, we search for evidence of inverse Compton emission in 8-yr Fermi–LAT data from the directions of 157 Milky Way globular clusters. We find a mildly statistically significant (3.8σ) correlation between the measured globular cluster gamma-ray luminosities and their photon field energy densities. However, this may also be explained by a hidden correlation between the photon field densities and the stellar encounter rates of globular clusters. Analysed in toto, we demonstrate that the gamma-ray emission of globular clusters can be resolved spectrally into two components: (i) an exponentially cut-off power law and (ii) a pure power law. The latter component – which we uncover at a significance of 8.2σ – has a power index of 2.79 ± 0.25. It is most naturally interpreted as inverse Compton emission by cosmic-ray electrons and positrons injected by millisecond pulsars. Here, we find the luminosity of this power-law component is comparable to, or slightly smaller than, the luminosity of the curved component, suggesting the fraction of millisecond pulsar spin-down luminosity into relativistic leptons is similar to the fraction of the spin-down luminosity into prompt magnetospheric radiation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Magnetic properties of alternating Hubbard ladders

We explore the Hubbard Hamiltonian on ladders where the number of sites per rung alternates between two and three. These geometries are bipartite with nonequal or equal number of sites on the two sublattices. Thus they share a key feature of the Hubbard model in a class of lattices which Lieb has shown analytically to exhibit long-range ferrimagnetic order while being amenable to powerful numeric approaches developed for quasi-one-dimensional geometries. The density matrix renormalization group (DMRG) method is used to obtain the groundstate properties, e.g., excitation gaps, charge and spin densities as well as their correlation functions at half filling. We show the existence of long-range ferrimagnetic order in the one-dimensional ladder geometries. Our work provides detailed quantitative results which complement the general theorem of Lieb for generalized bipartite lattices. It also addresses the issue of how the alternation between quasi-long-range order and spin liquid behavior for uniform ladders with odd and even numbers of legs might be affected by a regular alternation pattern.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A data-driven method for modelling dissipation rates in stratified turbulence

We present a deep probabilistic convolutional neural network (PCNN) model for predicting local values of small-scale mixing properties in stratified turbulent flows, namely the dissipation rates of turbulent kinetic energy and density variance, $\varepsilon$ and $\chi$ . Inputs to the PCNN are vertical columns of velocity and density gradients, motivated by data typically available from microstructure profilers in the ocean. The architecture is designed to enable the model to capture several characteristic features of stratified turbulence, in particular the dependence of small-scale isotropy on the buoyancy Reynolds number $Re_b:=\varepsilon /(\nu N^2)$ , where $\nu$ is the kinematic viscosity and $N$ is the background buoyancy frequency, the correlation between suitably locally averaged density gradients and turbulence intensity and the importance of capturing the tails of the probability distribution functions of values of dissipation. Empirically modified versions of commonly used isotropic models for $\varepsilon$ and $\chi$ that depend only on vertical derivatives of density and velocity are proposed based on the asymptotic regimes $Re_b\ll 1$ and $Re_b\gg 1$ , and serve as an instructive benchmark for comparison with the data-driven approach. When trained and tested on a simulation of stratified decaying turbulence which accesses a range of turbulent regimes (associated with differing values of $Re_b$ ), the PCNN outperforms assumptions of isotropy significantly as $Re_b$ decreases, and additionally demonstrates improvements over the fitted empirical models. A differential sensitivity analysis of the PCNN facilitates a comparison with the theoretical models and provides a physical interpretation of the features enabling it to make improved predictions.

42 ENGINEERING↗
DOE OSTI2023

Faster spectral density calculation using energy moments

Abstract Accurate predictions of inclusive scattering cross sections in the linear response regime require efficient and controllable methods to calculate the spectral density in a strongly-correlated many-body system. In this work we reformulate the recently proposed Gaussian Integral Transform technique in terms of Fourier moments of the system Hamiltonian which can be computed efficiently on a quantum computer. One of the main advantages of this framework is that it allows for an important reduction of the computational cost by exploiting previous knowledge about the energy moments of the spectral density. For a simple model of medium mass nucleus like $$^{40}$$ 40 Ca and target energy resolution of 1 MeV we find an expected speed-up of $$\approx 125$$ ≈ 125 times for the calculation of the giant dipole response and of $$\approx 50$$ ≈ 50 times for the simulation of quasi-elastic electron scattering at typical momentum transfers.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗