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At least 73 records · Page 4

Causality of the nonequilibrium correlation functions.

It is shown that the correct lowest-order two-particle correlation function solution to the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy is given via a Green's function whose Fourier transform satisfies the analyticity requirements for causality. The Bogoliubov adiabatic approximation is shown to imply a solution which is acausal. Extension to the s-particle correlation function is discussed.

Murphy, F. X.↗

Recognition and characterization of hierarchical interstellar structure. I - Correlation function

The problem of the quantitative description of multiscale structure in interstellar cloud complexes and gravitational collapse calculations is considered, emphasizing the recognition and characterization of hierarchical fragmentation structure. The response of the two-point correlation function to a variety of analytical models for density structure is discussed for simple clustering of pointlike clouds to more complex models involving clouds with a distribution of sizes and densities and hierarchical substructure. By expressing the density distribution as the superposition of individual clouds, it is shown that the correlation function generates two types of terms: those involving each cloud's density convolved with itself and those involving pairs of different clouds. Major distortion of the correlation function are introduced by the presence of any image features with size scales a significant fraction of the image size.

Houlahan, Padraig↗

Correcting correlation functions for redshift-dependent interloper contamination

ABSTRACT The construction of catalogues of a particular type of galaxy can be complicated by interlopers contaminating the sample. In spectroscopic galaxy surveys this can be due to the misclassification of an emission line; for example in the Hobby–Eberly Telescope Dark Energy Experiment (HETDEX) low-redshift [O ii] emitters may make up a few per cent of the observed Ly α emitter (LAE) sample. The presence of contaminants affects the measured correlation functions and power spectra. Previous attempts to deal with this using the cross-correlation function have assumed sources at a fixed redshift, or not modelled evolution within the adopted redshift bins. However, in spectroscopic surveys like HETDEX, where the contamination fraction is likely to be redshift dependent, the observed clustering of misclassified sources will appear to evolve strongly due to projection effects, even if their true clustering does not. We present a practical method for accounting for the presence of contaminants with redshift-dependent contamination fractions and projected clustering. We show using mock catalogues that our method, unlike existing approaches, yields unbiased clustering measurements from the upcoming HETDEX survey in scenarios with redshift-dependent contamination fractions within the redshift bins used. We show our method returns autocorrelation functions with systematic biases much smaller than the statistical noise for samples with at least as high as 7 per cent contamination. We also present and test a method for fitting for the redshift-dependent interloper fraction using the LAE–[O ii] galaxy cross-correlation function, which gives less biased results than assuming a single interloper fraction for the whole sample.

79 ASTRONOMY AND ASTROPHYSICS↗

The two-point correlation function of randomly distributed Lyman alpha clouds

It is often assumed that Ly-alpha forest clouds are randomly distributed, intergalactic objects that are highly ionized by the UV background produced by quasars. If these assumptions are true, fluctuations in the UV background should produce a nonzero two point correlation function in the Ly-alpha forest. This effect, which is really just a generalization of the proximity effect, is more significant at high redshift (z is approximately 3-4) because the mean free path for UV photons is smaller there, and the fluctuations correspondingly larger. This effect was studied using both the semi-analytic techniques of Zuo's recent papers and Monte Carlo simulations. The correlation function is expected to have a small yet potentially measurable amplitude that is consistent with current upper limits. Furthermore, the signature of this effect is distinctive because the nonzero correlation function extends over the photon mean free path, which is larger than the expected scale of large-scale structure. Observations or upper limits on this effect could provide information about the source of the ionizing background at high redshifts and the nature of the Ly-alpha forest clouds.

Fardal, Mark A.↗

Correlation function ratios and the identification of space plasma instabilities

Wave-particle transport in a collisionless plasma is due to particle scattering by enhanced fluctuations associated with the growth of instabilities. In particular, relatively short wave-length kinetic instabilities are frequently invoked to explain many different types of plasma transport in space. Although there is an extensive theoretical and simulation literature describing the potential applications of many such instabilities, there are only a few cases of clear-cut identification of kinetic modes in space. The research described in this paper uses linear Vlasov dispersion theory to study correlation functions and dimensionless correlation function ratios for fluctuations or instabilities in three space plasma regimes. This research shows that both the compressibility and the parallel compressibility are likely to be useful in distinguishing modes in the magnetosheath as well as in the plasma sheet boundary layer and that helicity remains a useful identifier of electromagnetic ion/ion instabilities in the foreshock.

Gary, S. P.↗

Exact evaluation of large-charge correlation functions in nonrelativistic conformal field theory

The large-charge master field which generates all n -point correlation functions with an insertion of large charge Q in nonrelativistic conformal field theory is obtained. This field is used to compute Schrödinger-invariant n -point correlation functions of large-charge operators via a direct evaluation of the path integral. Conformal dimensions are found to agree with calculations based on the state-operator correspondence. The master field solution exhibits an emergent harmonic trap whose frequency is a function of the Euclidean time. The large-charge effective action with operator insertions describes a droplet of superfluid matter whose spatial size scales with the time separation of sources. The solution is used to compute Schrödinger symmetry breaking corrections in the large-charge effective field theory (EFT) due to a finite scattering length in the fundamental theory of fermions near unitarity. The scaling of these effects in the large-charge power counting scheme is established, and the size of the effects is quantified using input from quantum Monte Carlo simulations of the near-unitary gas, as well as from the large- N expansion at large charge. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Dependence of predicted bulk properties of hexagonal hydroxyapatite on exchange-correlation functional

Hydroxyapatite (HA) is the main component of human bones and teeth. HA has also been widely applied in various technological fields due to its unique properties. Reliable computational simulations for this critical material often require input parameters obtained from the first-principles density functional theory (DFT) calculations with appropriate exchange–correlation functionals. Previous DFT calculations are insufficient to verify the reliabilities of various functionals, particularly as they fail to assess predictions for multiple properties of the material. In this paper, we first select 18 different functionals to calculate geometric, elastic, electronic, and thermodynamic properties of hexagonal HA bulk crystal. We find that the results from optB86b-vdW and optB88-vdW functionals with dispersion corrections have the overall best agreement with available experimental data. Then, we choose optB88-vdW functional, as well as PBE functional without dispersion corrections as a comparison, to perform extensive first-principles DFT phonon calculations under the quasiharmonic approximation. Various thermodynamic properties (including phonon contributions to internal energy, entropy, and Helmholtz free energy) and thermal parameters (including thermal expansions of volume, thermal expansion coefficients, heat capacities, isothermal bulk moduli, etc.) versus temperature are consequently obtained. By comparing these quantities, we report that the results from optB88-vdW functional have significantly better agreement with available experimental data than those from PBE functional although the latter has been widely used in previous DFT calculations for HA-based material systems.

36 MATERIALS SCIENCE↗

Lattice-QCD Computable Quark Correlation Functions at Three-Loop Order and Extraction of Splitting Functions

We present the first complete next-to-next-to-next-to-leading-order calculation of the matching coefficients that link unpolarized flavor nonsinglet parton distribution functions with lattice QCD computable correlation functions. By using this high-order result, we notice a reduction in theoretical uncertainties compared to relying solely on previously known lower-order matching coefficients. Furthermore, based on this result we have extracted the three-loop unpolarized flavor nonsinglet splitting function, which is in agreement with the state-of-the-art result. Because of the simplicity of our method, it has the potential to advance the calculation of splitting functions to the desired four-loop order.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The correlation function for density perturbations in an expanding universe. I - Linear theory

The evolution of the two-point correlation function for adiabatic density perturbations in the early universe is studied. Analytical solutions are obtained for the evolution of linearized spherically symmetric adiabatic density perturbations and the two-point correlation function for these perturbations in the radiation-dominated portion of the early universe. The results are then extended to the regime after decoupling. It is found that: (1) adiabatic spherically symmetric perturbations comparable in scale with the maximum Jeans length would survive the radiation-dominated regime; (2) irregular fluctuations are smoothed out up to the scale of the maximum Jeans length in the radiation era, but regular fluctuations might survive on smaller scales; (3) in general, the only surviving structures for irregularly shaped adiabatic density perturbations of arbitrary but finite scale in the radiation regime are the size of or larger than the maximum Jeans length in that regime; (4) infinite plane waves with a wavelength smaller than the maximum Jeans length but larger than the critical dissipative damping scale could survive the radiation regime; and (5) black holes would also survive the radiation regime and might accrete sufficient mass after decoupling to nucleate the formation of galaxies.

Mcclelland, J.↗

Two-particle correlation functions in cluster perturbation theory: Hubbard spin susceptibilities

Cluster perturbation theory (CPT) is a computationally economic method commonly used to estimate the momentum- and energy-resolved single-particle Green's function. It has been used extensively in direct comparisons with experiments that effectively measure the single-particle Green's function, e.g., angle-resolved photoemission spectroscopy. However, many experimental observables are given by two-particle correlation functions. CPT can be extended to compute two-particle correlation functions by approximately solving the Bethe-Salpeter equation. We implement this method and focus on the transverse spin susceptibility, measurable via inelastic neutron scattering or with optical probes of atomic gases in optical lattices. Finally, we benchmark the method with the one-dimensional Fermi-Hubbard model by comparing with known results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Time Evolution of Correlation Functions in Quantum Many-Body Systems

We give rigorous analytical results on the temporal behavior of two-point correlation functions—also known as dynamical response functions or Green’s functions—in closed many-body quantum systems. We show that in a large class of translation-invariant models the correlation functions factorize at late times $\langle$A ( t ) B$\rangle$ β → $\langle$ A$\rangle$ β $\langle$ B$\rangle$ β , thus proving that dissipation emerges out of the unitary dynamics of the system. We also show that for systems with a generic spectrum the fluctuations around this late-time value are bounded by the purity of the thermal ensemble, which generally decays exponentially with system size. For autocorrelation functions we provide an upper bound on the timescale at which they reach the factorized late time value. Remarkably, this bound is only a function of local expectation values and does not increase with system size. We give numerical examples that show that this bound is a good estimate in nonintegrable models, and argue that the timescale that appears can be understood in terms of an emergent fluctuation-dissipation theorem. Our study extends to further classes of two point functions such as the symmetrized ones and the Kubo function that appears in linear response theory, for which we give analogous results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Assessment of exchange-correlation functionals on oxygen vacancy formation energies of metal oxides

Oxygen vacancies are a common defect in oxides and play vital roles in many technological applications such as oxygen separation, catalytic reactors, solid oxide fuel cells, and solar thermochemical water splitting. The oxygen vacancy formation energy is directly related to the oxide reduction enthalpy and the vacancy concentration and, therefore, is a key quantity underlying these applications. The complexity of measuring oxygen vacancy formation energies experimentally suggests the utility of calculations based on density functional theory (DFT). However, the calculated results are strongly dependent on the exchange-correlation functionals and other parameters such as the Hubbard U . In this work, we compare the performance of the meta-GGA strongly constrained and appropriately normed (SCAN) functional and the commonly used semilocal generalized gradient approximation (GGA) functionals with experimental values of structural parameters, band gaps, magnetic structures, and oxygen vacancy formation energies for six representative oxides, i.e., CaMnO 3 , SrMnO 3 , LaMnO 3 , YMnO 3 , LaFeO 3 , and CeO 2 . Further, our results show that SCAN usually has better agreement with the experimental lattice constants and band gaps and larger magnetic moments than the commonly used GGA functionals. Although SCAN overestimates the oxygen vacancy formation energies of transition metal oxides and therefore requires unusually large Hubbard U values to reproduce the experimental reduction enthalpies, it does predict the correct oxygen vacancy formation energy of CeO 2 , which challenges the commonly used GGA and hybrid functionals. Our results underscore the challenges that exist in describing these complex oxides by DFT and may shed light on developing more accurate exchange-correlation functionals for oxygen vacancy formation energy calculations.

36 MATERIALS SCIENCE↗

Fast correlation function calculator: A high-performance pair-counting toolkit

A novel high-performance exact pair-counting toolkit called fast correlation function calculator (FCFC) is presented. With the rapid growth of modern cosmological datasets, the evaluation of correlation functions with observational and simulation catalogues has become a challenge. High-efficiency pair-counting codes are thus in great demand. We introduce different data structures and algorithms that can be used for pair-counting problems, and perform comprehensive benchmarks to identify the most efficient algorithms for real-world cosmological applications. We then describe the three levels of parallelisms used by FCFC, SIMD, OpenMP, and MPI, and run extensive tests to investigate the scalabilities. Finally, we compare the efficiency of FCFC with alternative pair-counting codes. The data structures and histogram update algorithms implemented in FCFC are shown to outperform alternative methods. FCFC does not benefit greatly from SIMD because the bottleneck of our histogram update algorithm is mainly cache latency. Nevertheless, the efficiency of FCFC scales well with the numbers of OpenMP threads and MPI processes, even though speedups may be degraded with over a few thousand threads in total. FCFC is found to be faster than most (if not all) other public pair-counting codes for modern cosmological pair-counting applications.

79 ASTRONOMY AND ASTROPHYSICS↗

Ways to improve your correlation functions

This paper describes a number of ways to improve on the standard method for measuring the two-point correlation function of large scale structure in the Universe. Issues addressed are: (1) the problem of the mean density, and how to solve it; (2) how to estimate the uncertainty in a measured correlation function; (3) minimum variance pair weighting; (4) unbiased estimation of the selection function when magnitudes are discrete; and (5) analytic computation of angular integrals in background pair counts.

Hamilton, A. J. S.↗

Robust Measurements of n -Point Correlation Functions of Driven-Dissipative Quantum Systems on a Digital Quantum Computer

We propose and demonstrate a unified hierarchical method to measure n -point correlation functions that can be applied to driven, dissipative, or otherwise open or nonequilibrium quantum systems. In this method, the time evolution of the system is repeatedly interrupted by interacting an ancilla qubit with the system through a controlled operation, and measuring the ancilla immediately afterward. We discuss the robustness of this method as compared to other ancilla-based interferometric techniques (such as the Hadamard test), and highlight its advantages for near-term quantum simulations of open quantum systems. We implement the method on a quantum computer in order to measure single-particle Green’s functions of a driven-dissipative fermionic system. This Letter shows that dynamical correlation functions for driven-dissipative systems can be robustly measured with near-term quantum computers. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗