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The usual gravitational wave memory effect can be understood as a change in the separation of two initially comoving observers due to a burst of gravitational waves. Over the past few decades, a wide variety of other, 'persistent' observables which measure permanent effects on idealized detectors have been introduced, each probing distinct physical effects. These observables can be defined in (regions of) any spacetime where there exists a notion of radiation, such as perturbation theory off of a fixed background, nonlinear plane wave spacetimes, or asymptotically flat spacetimes. Many of the persistent observables defined in the literature have only been considered in asymptotically flat spacetimes, and the perturbative nature of such calculations has occasionally obscured deeper relationships between these observables that hold more generally. The goal of this paper is to show how these more general results arise, and to do so we focus on two observables related to the separation between two, potentially accelerated observers. The first is the curve deviation, which is a natural generalization of the displacement memory, and also contains what this paper proposes to call drift memory (previously called 'subleading displacement memory') and ballistic memory. The second is a relative proper time shift that arises between the two observers, either at second order in their initial separation and relative velocity, or in the presence of relative acceleration. The results of this paper are, where appropriate, entirely non-perturbative in the curvature of spacetime, and so could be used beyond leading order in asymptotically flat spacetimes. [ABSTRACT FROM AUTHOR]

We review Kolmogorov's 1954 fundamental paper On the persistence of conditionally periodic motions under a small change in the Hamilton function (Dokl. akad. nauk SSSR, 1954, vol. 98, pp. 527–530), both from the historical and the mathematical point of view. In particular, we discuss Theorem 2 (which deals with the measure in phase space of persistent tori), the proof of which is not discussed at all by Kolmogorov, notwithstanding its centrality in his program in classical mechanics. In Appendix, an interview (May 28, 2021) to Ya. Sinai on Kolmogorov's legacy in classical mechanics is reported. [ABSTRACT FROM AUTHOR]

The paper referred to in the title, in J. Chem. Phys. 84, 1788 (1986), presented results of computer simulations of non-Markovian barrier crossing dynamics, and compared these results with various theoretical predictions. One comment made here is that the observed limited applicability of the Grote–Hynes theory can be explained by singular perturbation theory. The other comment concerns the importance of a second constant of the motion when the non-Markovian friction has a very long relaxation time. [ABSTRACT FROM AUTHOR]

As the speed of paper feeding processes in an ink-jet printer is increased, the paper feeding mechanisms are usually prone to induce some paper transport problems such as paper jamming and slipping, and some mechanical problems such as gear cracking and chattering. Therefore, for ensuring printing qualities and for preventing destructive damages, the paper path detection in ink-jet printers is required. In this paper, we explore the feasibility of using speed perturbation observer to detect paper path situations in an ink-jet printer. Moreover, in comparing with the existing approaches, this paper presents an approach without additional sensors. The speed perturbation observer composed of a nominal plant, a low-pass filter, and an identification unit is developed to detect paper path situations during paper feeding processes. The design concept is based on the fact that external disturbances usually significantly affect the speed performances of an axial mechanical system. Since the paper feeding processes in ink-jet printers are equivalent to that the interaction among paper and paper feeding mechanisms exerts external disturbances on the driven motor, it is interesting to detect paper path situations by estimating speed perturbations induced by different paper feeding actions. The proposed approach is implemented on an ink-jet printer and two usual paper path situations are tested. The experimental results demonstrate that the proposed approach can accurately respond to the different paper path situations caused by different paper feeding actions. [ABSTRACT FROM AUTHOR]

In July 1925 Heisenberg published a paper that ushered in the new era of quantum mechanics. This epoch-making paper is generally regarded as being difficult to follow, partly because Heisenberg provided few clues as to how he arrived at his results. We give details of the calculations of the type that Heisenberg might have performed. As an example we consider one of the anharmonic oscillator problems considered by Heisenberg, and use our reconstruction of his approach to solve it up to second order in perturbation theory. The results are precisely those obtained in standard quantum mechanics, and we suggest that a discussion of the approach, which is based on the direct calculation of transition frequencies and amplitudes, could usefully be included in undergraduate courses on quantum mechanics. [ABSTRACT FROM AUTHOR]

We show that a relative entropy condition recently shown by Leger and Vasseur to imply uniqueness and stable L² dependence on initial data of Lax 1- or n-shock solutions of an n X n system of hyperbolic conservation laws with convex entropy implies Lopatinski stability in the sense of Majda. This means in particular that Leger and Vasseur's relative entropy condition represents a considerable improvement over the standard entropy condition of decreasing shock strength and increasing entropy along forward Hugoniot curves, which, in a recent example exhibited by Barker, Freistühler and Zum-brun, was shown to fail to imply Lopatinski stability, even for systems with convex entropy. This observation bears also on the parallel question of exis-tence, at least for small BV or Hs perturbations. [ABSTRACT FROM AUTHOR]

The aim of this study was to determine the dispersion of passive pollutants associated with the Tiber discharge into the Tyrrhenian Sea using numerical marine dispersion models and satellite data. Numerical results obtained in the simulation of realistic discharge episodes were compared with the corresponding evolution of the spatial distributions of MODIS diffuse light attenuation coefficient at 490nm (K490), and the results were discussed with reference to the local climate and the seasonal sub-regional circulation regime. The numerical model used for the simulation of the sub-tidal circulation was a Mediterranean sub-regional scale implementation of the Princeton Ocean Model (POM), nested in the large-scale Mediterranean Forecasting System. The nesting method enabled the model to be applied to almost every area in the Mediterranean Sea and also to be used in seasons for which imposing climatological boundary conditions would have been questionable. Dynamical effects on coastal circulation and on water density due to the Tiber discharge were additionally accounted for in the oceanographic model by implementing the river estuary as a point source of a buoyant jet. A Lagrangian particle dispersion model fed with the POM current fields was then run, in order to reproduce the effect of the turbulent transport of passive tracers mixed in the plume with the coastal flow. Two significant episodes of river discharge in both Winter and Summer conditions were discussed in this paper. It was found that the Win ter regime was characterized by the presence of a strong coastal jet flowing with the ambient current. In Summer the prevailing wind regime induces coastal downwelling conditions, which tend to confine the riverine waters close to the shore. In such conditions sudden wind reversals due to local weather perturbations, causing strong local upwelling, proved to be an effective way to disperse the tracers offshore, moving the plume from the coast and detaching large pools of freshwater. [ABSTRACT FROM AUTHOR]

We study non-geodesic corrections to the quasicircular motion of charged test particles in the field of magnetized slowly rotating neutron stars. The gravitational field is approximated by the Lense-Thirring geometry, and the magnetic field is of the standard dipole character. Using a fully relativistic approach, we determine the influence of the electromagnetic interaction (both attractive and repulsive) on the quasicircular motion. We focus on the behaviour of the orbital and epicyclic frequencies of the motion. Components of the fourvelocity of the orbiting charged test particles are obtained by the numerical solution of equations of motion, and the epicyclic frequencies are obtained by using the standard perturbative method. The role of the combined effect of the neutron star magnetic field and its rotation in the character of the orbital and epicyclic frequencies is discussed. It is demonstrated that even in the Lense- Thirring spacetime, particles being static relative to distant observers can exist due to the combined gravo-electromagnetic interaction. [ABSTRACT FROM AUTHOR]

Abstract: An integrated model for ranking scientific publications together with authors and journals recently presented in [Bini, Del Corso, Romani, ETNA 2008] is closely analyzed. The model, which relies on certain adjacency matrices and obtained from the relations of citation, authorship and publication, provides the ranking by means of the Perron vector of a stochastic matrix obtained by combining and . Some perturbation theorems concerning the Perron vector previously introduced by the authors are extended to more general cases and a counterexample to a property previously addressed by the authors is presented. The theoretical results confirm the consistency and effectiveness of our model. Some paradigmatic examples are reported together with some results obtained on a real set of data. [Copyright &y& Elsevier]

In this paper, we proposed a generalized mosquito-borne epidemic model with a general nonlinear incidence rate, which was studied from both deterministic and stochastic insights. In the deterministic model, we proved that the endemic equilibrium was globally asymptotically stable when the basic reproduction number R 0 was greater than unity and the disease free equilibrium was globally asymptotically stable when R 0 was lower than unity. In addition, considering the effect of environmental noise on the spread of infectious diseases, we developed a stochastic model in which the infection rates were assumed to satisfy the mean-reverting log-normal Ornstein-Uhlenbeck process. For this stochastic model, two critical values, known as R 0 s and R 0 E , were introduced to determine whether the disease will persist or die out. Additionally, the exact probability density function of the stationary distribution near the quasi-equilibrium point was obtained. Numerical simulations were conducted to validate the results obtained and to examine the impact of stochastic perturbations on the model. In this paper, we proposed a generalized mosquito-borne epidemic model with a general nonlinear incidence rate, which was studied from both deterministic and stochastic insights. In the deterministic model, we proved that the endemic equilibrium was globally asymptotically stable when the basic reproduction number was greater than unity and the disease free equilibrium was globally asymptotically stable when was lower than unity. In addition, considering the effect of environmental noise on the spread of infectious diseases, we developed a stochastic model in which the infection rates were assumed to satisfy the mean-reverting log-normal Ornstein-Uhlenbeck process. For this stochastic model, two critical values, known as and , were introduced to determine whether the disease will persist or die out. Additionally, the exact probability density function of the stationary distribution near the quasi-equilibrium point was obtained. Numerical simulations were conducted to validate the results obtained and to examine the impact of stochastic perturbations on the model. [ABSTRACT FROM AUTHOR]

Copyright of Kirkuk Journal of Science is the property of Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR) and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

This paper presents a method for characteristic function assignment on rational functions by adding perturbation in systems with irrational characteristic functions. Generally, in systems with irrational characteristic loci, commutative compensator designs are not possible. Irrational characteristic functions have different forms. In our previous work, mentioned in the introduction section, a form of these characteristic functions was presented. Another form of irrational characteristic functions is considered in this paper. This approach is not based on the transfer function inverting, and characteristic loci are not used directly in the design process. The efficacy of the proposed approach is investigated through two numerical examples. [ABSTRACT FROM AUTHOR]

Almost all climate time series have some degree of nonstationarity due to external driving forces perturbations of the observed system. Therefore, these external driving forces should be taken into account when reconstructing the climate dynamics. This paper presents a new technique of combining the driving force of a time series obtained using the Slow Feature Analysis (SFA) approach, then introducing the driving force into a predictive model to predict non-stationary time series. In essence, the main idea of the technique is to consider the driving forces as state variables and incorporate them into the prediction model. To test the method, experiments using a modified logistic time series and winter ozone data in Arosa, Switzerland, were conducted. The results showed improved and effective prediction skill. [ABSTRACT FROM AUTHOR]

The Harold A. Wheeler Applications Prize Paper Award is presented to the authors of the best applications paper published in the IEEE Transactions on Antennas and Propagation during the previous year. [ABSTRACT FROM AUTHOR]

This paper studies optimal control of systems driven by stochastic differential equations, where the control variable has two components, the first being absolutely continuous and the second singular. Our main result is a stochastic maximum principle for relaxed controls, where the first part of the control is a measure valued process. To achieve this result, we establish first order optimality necessary conditions for strict controls by using strong perturbation on the absolutely continuous component of the control and a convex perturbation on the singular one. The proof of the main result is based on the strict maximum principle, Ekeland's variational principle, and some stability properties of the trajectories and adjoint processes with respect to the control variable. [ABSTRACT FROM AUTHOR]

The first paper of this series [J. Chem. Phys. 158, 034103 (2023)] demonstrated that excess entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) systems. Despite its universality, a more exact determination of the scaling relationship was not possible due to the semi-empirical nature. In this second paper, an analytical excess entropy scaling relation is derived for bottom-up CG systems. At the single-site CG resolution, effective hard sphere systems are constructed that yield near-identical dynamical properties as the target CG systems by taking advantage of how hard sphere dynamics and excess entropy can be analytically expressed in terms of the liquid packing fraction. Inspired by classical equilibrium perturbation theories and recent advances in constructing hard sphere models for predicting activated dynamics of supercooled liquids, we propose a new approach for understanding the diffusion of molecular liquids in the normal regime using hard sphere reference fluids. The proposed "fluctuation matching" is designed to have the same amplitude of long wavelength density fluctuations (dimensionless compressibility) as the CG system. Utilizing the Enskog theory to derive an expression for hard sphere diffusion coefficients, a bridge between the CG dynamics and excess entropy is then established. The CG diffusion coefficient can be roughly estimated using various equations of the state, and an accurate prediction of accelerated CG dynamics at different temperatures is also possible in advance of running any CG simulation. By introducing another layer of coarsening, these findings provide a more rigorous method to assess excess entropy scaling and understand the accelerated CG dynamics of molecular fluids. [ABSTRACT FROM AUTHOR]

The licensing of new reactors implies the use of verified and validated neutronic codes. Numerical validation can rely on sensitivity and uncertainty studies, but they require repeated execution of time-consuming neutron flux and depletion calculations. The computational costs can be reduced by using perturbation theories. However, the uncoupled Depletion Perturbation Theory is restricted to single integral values such as nuclide density. Relying on reduced-basis approaches, which reconstruct all nuclide densities at once, is one way to get around this restriction. Furthermore, the adjoint-based reduced-order model uses the direct and adjoint equations for projection. For diffusion or transport calculations, the Exact-to-Precision Generalized Perturbation Theory was developed. Still, no models for depletion calculations are readily available. Therefore, this paper describes a novel adjoint-based reduced-order model for the Bateman Equation. It uses a range-finding algorithm to create the basis and the uncoupled Depletion Perturbation Theory for the reconstruction of the first order replaced by with a first order formulation. Our paper shows that for several perturbed cases, the depletion reduced-order model successfully reconstructs the nuclide densities. As a result, this serves as a proof of concept for our adjoint-based reduced-order model, which can perform sensitivity and uncertainty burn-up analysis in a shorter time. [ABSTRACT FROM AUTHOR]

In this paper, we present a simple numerical technique based on optical frequency domain reflectometry. Nonlinear Schrödinger having anti-cubic equation is suggested for computing a new solitons-solutions propagation. The dispersion is to be calculated from variations in the frequency chirp rate, when frequency-chirped light is utilized as the light source. We utilize an accurate model of the average dispersion, in fibers up to several tens of kilometers. The numerical simulation is obtained by applying variable perturbation theory on the group velocity dispersion term in nonlinear Schrödinger having anti-cubic equation. The proposed model is used with some particular conditions; to be significantly more accurate for links with strong nonlinearities and high dispersion. [ABSTRACT FROM AUTHOR]

In Paper I, the performances of pre-screening (PS), extended PS (EPS), and cumulant (CU) approximations to the fourth-order density matrix were examined in the context of second-order N-electron valence state perturbation theory (NEVPT2). It has been found that the CU, PS, and even EPS approximations with loose thresholds may introduce intruder states. In the present work, the origin of these "false intruder" states introduced by approximated density matrices is discussed. Canonical NEVPT2 implementations employ a rank reduction trick. By analyzing its residual error, we find that the omission of the rank reduction leads to a more stable multireference perturbation theory for incomplete active space reference wave functions. Such a full rank (FR)-NEVPT2 formulation is equivalent to the conventional NEVPT2 method for the complete active space self-consistent field/complete active space configuration interaction reference wave function. A major drawback of the FR-NEVPT2 formulation is the necessity of the fifth-order density matrix. To avoid the construction of the high-order density matrices, the combination of the FR-NEVPT2 with the CU approximation is studied. However, we find that the CU approximation remains problematic as it still introduces intruder states. The question of how to robustly and efficiently perform internally contracted multireference perturbation theories with approximate densities remains a challenging field of investigation. [ABSTRACT FROM AUTHOR]

Presents a response to the commentary on the article 'Further Contributions to the Energy Levels of a Perturbed Anharmonic Oscillator: Application to Adiabatic Corrections.'

An error in the theoretical treatment by Hadinger et al., using the experimental data on HCl of Coxon and Ogilvie, is pointed out. [ABSTRACT FROM AUTHOR]

Copyright of Physics Essays is the property of Physics Essays Publication and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Cement density monitoring plays a vital role in evaluating the quality of cementing projects, which is of great significance to the development of oil and gas. However, the presence of inhomogeneous cement distribution and casing eccentricity in horizontal wells often complicates the accurate evaluation of cement azimuthal density. In this regard, this paper proposes an algorithm to calculate the cement azimuthal density in horizontal wells using a multi-detector gamma-ray detection system. The spatial dynamic response functions are simulated to obtain the influence of cement density on gamma-ray counts by the perturbation theory, and the contribution of cement density in six sectors to the gamma-ray recorded by different detectors is obtained by integrating the spatial dynamic response functions. Combined with the relationship between gamma-ray counts and cement density, a multiparameter calculation equation system is established, and the regularized Newton iteration method is employed to invert casing eccentricity and cement azimuthal density. This approach ensures the stability of the inversion process while simultaneously achieving an accuracy of 0.05 g/cm³ for the cement azimuthal density. This accuracy level is ten times higher compared to density accuracy calculated using calibration equations. Overall, this algorithm enhances the accuracy of cement azimuthal density evaluation, provides valuable technical support for the monitoring of cement azimuthal density in the oil and gas industry. [ABSTRACT FROM AUTHOR]

In this paper, we present a mathematical approach for studying the changes in pressure and temperature variables in flames. This conception extends beyond the traditional second-order Laplacian diffusion model by considering the p-Laplacian operator and a bi-stable reaction term, thereby providing a more generalized framework for flame diffusion analysis. Given the structure of our equations, we provide the boundedness and uniqueness of the solutions in a weak sense from both analytical and numerical approaches. We further reformulate the governing equations in the context of traveling wave solutions, applying singular geometric perturbation theory to derive the analytical expressions of these profiles. This theoretical development is complemented by numerical assessments, which not only validate our theoretical predictions, but also optimize the traveling wave speed to minimize the error between numerical and analytical solutions. Additionally, we explore self-similar structured solutions. The paper then concludes with a perspective on future research, with emphasis being placed on the need for experimental validation in laboratory settings. Such empirical studies could test the robustness of our model and allow for refinement based on actual measurements, thereby broadening the applicability and accuracy of our findings in practical scenarios. [ABSTRACT FROM AUTHOR]

What the motivation of this paper is to provide chirped optical solitons for the complex Ginzburg–Landau equation with Hamiltonian perturbations and Kerr law nonlinearity. We get 19 exact chirped solutions by utilizing trial equation method and the complete discriminant system for polynomial method, which are richer than the solutions acquired in existing papers. We draw the two-dimensional graphs of amplitudes and corresponding chirps in order to verify the existence of the solutions and discuss the dynamical properties of the solutions. To our knowledge, this is the first time that comprehensive set of exact chirped solutions of the governing equation in the paper are obtained. The model and the results obtained in this paper may help explain some nonlinear problems. [ABSTRACT FROM AUTHOR]

The paper aims to demonstrate that a linear expansion in a unital two-dimensional algebra can generate integrable couplings, proposing a novel approach for their construction. The integrable couplings presented encompass a range of perturbation equations and nonlinear integrable couplings. Their corresponding Lax pairs and hereditary recursion operators are explicitly detailed. Concrete applications to the KdV equation and the AKNS system of nonlinear Schrödinger equations are extensively explored. [ABSTRACT FROM AUTHOR]

This paper discusses pseudospectra and stability radii for structured nonlinear matrix functions, such as Hermitian, skew‐Hermitian, H‐even, H‐odd, complex symmetric, and complex skew‐symmetric. To compute pseudospectra and stability radii, eigenvalue backward error is required. Hence, we initially present the structured eigenvalue backward error. Subsequently, we compute the structured pseudospectra using the obtained results for the eigenvalue backward error of a class of structured nonlinear matrix functions. Finally, we discuss the stability radii of the above‐structured problems arising in different applications. The paper also generalizes the results on the eigenvalue backward error of matrix polynomials in the literature for the above structures. [ABSTRACT FROM AUTHOR]

The symmetric orbifold of 핋4 is exactly dual to string theory on AdS3 × S3 × 핋4 with minimal (k = 1) NS-NS flux. In this paper we study the perturbation of the symmetric orbifold that is dual to switching on R-R flux, and hence to deforming the theory away from the tensionless point. More specifically, we determine systematically the action of a centrally extended supersymmetry algebra on the CFT states, and deduce from it the anomalous conformal dimensions. In the w-twisted sector with large w the structure is similar to what was found for N = 4 SYM: the basic excitations are multi-magnons whose individual dispersion relation is fixed by symmetry, and the comparison with the BMN answer suggests that the result is true to all orders in perturbation theory. Finally we show that the multi-magnon states interact via an integrable S-matrix and possess a natural family of bound states. [ABSTRACT FROM AUTHOR]

This paper studies linear waves incident to a vertical permeable cylinder with arbitrary cross-section based on the boundary element method and perturbation theory. Considering a near-zero thickness for the permeable media, and using Darcy's law, the governing equation for the wave incident to a porous circular cylinder is derived based on the boundary element method. Then using perturbation theory and considering a small parameter $\varepsilon$ ε denoting the variation of cylinder radius from circular ones, the corresponding equations were expanded for non-circular cylinders. The developed method was applied to ellipse-shaped and rectangular cylinders. The wave forces and the wave strength inside the cylinder under a variety of parameters such as wavenumber, and porosity parameter were studied. One application of these research results is a better understanding of the behaviour of non-circular aquaculture cages in sea waves. According to the results, near-trapped modes can occur inside rectangular cages with small porosity parameters. [ABSTRACT FROM AUTHOR]

In this paper, we present a systematic approach to building useful time-dependent effective Hamiltonians in molecular quantum electrodynamics. The method is based on considering part of the system as an open quantum system and choosing a convenient unitary transformation based on the evolution operator. We illustrate our formalism by obtaining four Hamiltonians, each suitable to a different class of applications. We show that we may treat several effects of molecular quantum electrodynamics with a direct first-order perturbation theory. In addition, our effective Hamiltonians shed light on interesting physical aspects that are not explicit when employing more standard approaches. As applications, we discuss three examples: two-photon spontaneous emission, resonance energy transfer, and dispersion interactions. [ABSTRACT FROM AUTHOR]

In this paper, we study the Leslie–Gower predator–prey model with Michaelis–Menten type prey harvesting. Our main focus is on the cyclicity of diverse limit periodic sets, including a generic contact point, canard slow–fast cycles, transitory canards, slow–fast cycles with two canard mechanisms, singular slow–fast cycle, etc. We develop new techniques for finding the maximum number of limit cycles produced by slow–fast cycles containing both the generic and degenerate contact point away from the origin (such slow–fast cycles are the transitory canards and cycles with two canard mechanisms). It can be applied not only to the Leslie–Gower predator–prey model, but more general systems as well. The main tool is geometric singular perturbation theory including cylindrical blow-up and the notion of slow divergence integral. We also study dynamics near the origin using non-standard techniques (constructing generalized normal sectors). The uniqueness and stability of a relaxation oscillation is shown using the notion of entry–exit function. Some interesting dynamical phenomena, such as relaxation oscillation and canard explosion, are simulated to illustrate the theoretical results. [ABSTRACT FROM AUTHOR]

In Paper I [J. R. Elliott, A. J. Schultz, and D. A. Kofke, J. Chem. Phys. 143, 114110 (2015)] of this series, a methodology was presented for computing the coefficients of a power series of the Helmholtz energy in reciprocal temperature, β, through density series based on cluster integral expansions. Previously, power series in β were evaluated by thermodynamic perturbation theory (TPT) using molecular simulation of a reference fluid. The present methodology uses cluster integrals to evaluate coefficients of the density expansion at each individual order of temperature. While Paper I [J. R. Elliott, A. J. Schultz, and D. A. Kofke, J. Chem. Phys. 143, 114110 (2015)] developed this methodology for square well (SW) spheres, the present work extends the methodology to Lennard-Jones (LJ) spheres, where the reference fluid is the Weeks-Chandler-Andersen potential. Comparisons of TPT coefficients computed from cluster integrals to those from molecular simulation show good agreement through third order in β when coefficients are expressed with effective approximants. Notably, the agreement for LJ spheres is much better than for SW spheres although fewer coefficients of the density series (B2–B5) are available than for SW spheres (B2–B6). The coefficients for Bi(β) of the reference fluid are shown to follow a simple relationship to the virial coefficients of hard sphere fluids, corrected for the temperature dependency of the equivalent hard sphere diameter. This lays the foundation for a correlation of the second virial coefficient of LJ spheres B2(β) that extrapolates to infinite order in temperature. This correlation of B2(β) provides a basis for estimating the low density limit of TPT coefficients at all orders in temperature, facilitating a recursive extrapolation formula to estimate TPT coefficients of fourth order and higher over the entire density range. The applicability of the resulting equation of state is demonstrated by computing the thermodynamic properties for LJ spheres and comparing to standard simulation results. [ABSTRACT FROM AUTHOR]

Long weakly nonlinear finite-amplitude internal waves in a fluid consisting of three inviscid immiscible layers of arbitrary thickness and constant densities (stable configuration, Boussinesq approximation) bounded by a horizontal rigid bottom from below and by a rigid lid at the surface are described up to the second order of perturbation theory in small parameters of nonlinearity and dispersion. First, a pair of alternatives of appropriate KdV-type equations with the coefficients depending on the parameters of the fluid (layer positions and thickness, density jumps) are derived for the displacements of both modes of internal waves and for each interface between the layers. These equations are integrable for a very limited set of coefficients and do not allow for proper description of several near-critical cases when certain coefficients vanish. A more specific equation allowing for a variety of solitonic solutions and capable of resolving most of near-critical situations is derived by means of the introduction of another small parameter that describes the properties of the medium and rescaling of the ratio of small parameters. This procedure leads to a pair of implicitly interrelated alternatives of Gardner equation (KdV-type equations with combined nonlinearity) for the two interfaces. We present a detailed analysis of the relationships for the solutions for the disturbances at both interfaces and various regimes of the appearance and propagation properties of soliton solutions to these equations depending on the combinations of the parameters of the fluid. It is shown both the quadratic and the cubic nonlinear terms vanish for several realistic configurations of such a fluid. [ABSTRACT FROM AUTHOR]

Due to the inherent material characteristics of fireworks and negligent safety management, safety accidents have occurred in recent years, resulting in significant personal and property losses. Therefore, the status inspection of fireworks and other energy-containing materials is a hot issue in the field of energy-containing materials production, storage, transportation, and application. The dielectric constant is a parameter used to characterize the interaction between materials and electromagnetic waves. The methods of obtaining this parameter in the microwave band are not only numerous but also fast and easy. Thus, the real-time status of energy-containing materials can be monitored by monitoring their dielectric properties. Usually, temperature variation has an important effect on the state of energy-containing materials, and the accumulation of temperature can directly cause energy-containing materials to burn or even explode. Based on the above background, this paper proposes a method for testing the dielectric properties of energy-containing materials under variable temperature conditions based on the resonant cavity perturbation theory, which provides important theoretical support for testing the state of energy-containing materials under variable temperatures. Based on the constructed test system, the law of the variation of the dielectric constant of black powder with temperature was obtained, and the theoretical analysis of the test results was carried out. Experimental results show that the temperature change will induce chemical changes in the black powder material, specifically in its dielectric properties, and the magnitude of the changes is large, which is very conducive to real-time monitoring of the black powder state. The system and method developed in this paper can be used to obtain the high-temperature evolution of the dielectric properties of other types of energy-containing materials and provide technical support for the safe production, storage, and application of various types of energy-containing materials. [ABSTRACT FROM AUTHOR]

The combination of vibrational perturbation theory with the replacement of the harmonic oscillator quantization condition along the reaction coordinate with an imaginary action to be used in the uniform semiclassical approximation for the transmission probability has been shown in recent years to be a practical method for obtaining thermal reaction rates. To date, this theory has been developed systematically only up to second order in perturbation theory. Although it gives the correct leading order term in an ℏ2 expansion, its accuracy at lower temperatures, where tunneling becomes important, is not clear. In this paper, we develop the theory to fourth order in the action. This demands developing the quantum perturbation theory up to sixth order. Remarkably, we find that the fourth order theory gives the correct ℏ4 term in the expansion of the exact thermal rate. The relative magnitude of the fourth order correction as compared to the second order term objectively indicates the accuracy of the second order theory. We also extend the previous modified second order theory to the fourth order case, creating an ℏ2 modified potential for this purpose. The resulting theory is tested on the standard examples—symmetric and asymmetric Eckart potentials and a Gaussian potential. The modified fourth order theory is remarkably accurate for the asymmetric Eckart potential. [ABSTRACT FROM AUTHOR]

Alchemical transformations showed that perturbation theory can be applied also to changes in the atomic nuclear charges of a molecule. The alchemical path that connects two different chemical species involves the conceptualization of a non-physical system in which an atom possess a non-integer nuclear charge. A correct quantum mechanical treatment of these systems is limited by the fact that finite size atomic basis sets do not define exponents and contraction coefficients for fractional charge atoms. This paper proposes a solution to this problem and shows that a smooth interpolation of the atomic orbital coefficients and exponents across the periodic table is a convenient way to produce accurate alchemical predictions, even using small size basis sets. [ABSTRACT FROM AUTHOR]

In this paper, we develop and analyze a number of perturbation series that target the coupled cluster singles and doubles (CCSD) ground state energy. We show how classical Møller–Plesset perturbation theory series can be restructured to target the CCSD energy based on a reference CCS calculation and how the corresponding cluster perturbation series differs from the classical Møller–Plesset perturbation series. Subsequently, we reformulate these series using the coupled cluster Lagrangian framework to obtain series, where fourth and fifth order energies are determined only using parameters through second order. To test the methods, we perform a series of test calculations on molecular photoswitches of both total energies and reaction energies. We find that the fifth order reaction energies are of CCSD quality and that they are of comparable accuracy to state-of-the-art approximations to the CCSD energy based on local pair natural orbitals. The advantage of the present approach over local correlation methods is the absence of user defined threshold parameters for neglecting or approximating contributions to the correlation energy. Fixed threshold parameters lead to discontinuous energy surfaces, although this effect is often small enough to be ignored, but the present approach has a differentiable energy that will facilitate derivation and implementation of gradients and higher derivatives. A further advantage is that the calculation of the perturbation correction is non-iterative and can, therefore, be calculated in parallel, leading to a short time-to-solution. [ABSTRACT FROM AUTHOR]

The modern power grid features the high penetration of power converters, which widely employ a phase-locked loop (PLL) for grid synchronization. However, it has been pointed out that PLL can give rise to small-signal instabilities under weak grid conditions. This problem can be potentially resolved by operating the converters in grid-forming mode, namely, without using a PLL. Nonetheless, it has not been theoretically revealed how the placement of grid-forming converters enhances the small-signal stability of power systems integrated with large-scale PLL-based converters. This paper aims at filling this gap. Based on matrix perturbation theory, we explicitly demonstrate that the placement of grid-forming converters is equivalent to increasing the power grid strength and thus improving the small-signal stability of PLL-based converters. Furthermore, we investigate the optimal locations to place grid-forming converters by increasing the smallest eigenvalue of the weighted and Kron-reduced Laplacian matrix of the power network. The analysis in this paper is validated through high-fidelity simulation studies on a modified two-area test system and a modified 39-bus test system. This paper potentially lays the foundation for understanding the interaction between PLL-based (i.e., grid-following) converters and grid-forming converters, and coordinating their placements in future converter-dominated power systems. [ABSTRACT FROM AUTHOR]

Second-order N-electron valence state perturbation theory (NEVPT2) is an exactly size-consistent and intruder-state-free multi-reference theory. To accelerate the NEVPT2 computation, Guo and Neese combined it with the local pair-natural orbital (PNO) method using the projected atomic orbitals (PAOs) as the underlying local basis [Guo et al., J. Chem. Phys. 144, 094111 (2016)]. In this paper, we report the further development of the PNO-NEVPT2 method using the orthonormal and non-redundant localized virtual molecular orbitals (LVMOs) instead of PAOs. The LVMOs were previously considered to perform relatively poor compared to PAOs because the resulting orbital domains were unacceptably large. Our prior work, however, showed that this drawback can be remedied by re-forming the domain construction scheme using differential overlap integrals [Saitow et al., J. Chem. Phys. 157, 084101 (2022)]. In this work, we develop further refinements to enhance the feasibility of using LVMOs. We first developed a two-level semi-local approach for screening out so-called weak-pairs to select or truncate the pairs for PNO constructions more flexibly. As a refinement specific to the Pipek–Mezey localization for LVMOs, we introduced an iterative scheme to truncate the Givens rotations using varying thresholds. We assessed the LVMO-based PNO-NEVPT2 method through benchmark calculations for linear phenyl alkanes, which demonstrate that it performs comparably well relative to the PAO-based approach. In addition, we evaluated the Co–C bond dissociation energies for the cobalamin derivatives composed of 200 or more atoms, which confirms that the LVMO-based method can recover more than 99.85% of the canonical NEVPT2 correlation energy. [ABSTRACT FROM AUTHOR]

Net community production (NCP) and ratios of carbon to nutrient consumption were studied during a large-scale mesocosm experiment on ocean acidification in Kongsfjorden, West Spitsbergen, during June-July 2010. Nutrient-deplete fjord water with natural phyto- and bacteriaplankton assemblages, enclosed in nine mesocosms of ∼50m³ volume, was exposed to pCO2 levels ranging from 185 to 1420 µatm on initial state. Mean values of pCO2 levels during experiment ranged from 175 to 1085 µatm in different mesocosms. Phytoplankton growth was stimulated by nutrient addition. In this study NCP is estimated as a cumulative change in dissolved inorganic carbon concentrations. Stoichiometric couping between inorganic carbon and nutrient is shown as a ratio of a cumulative NCP to a cumulative change in inorganic nutrients. Three peaks of chlorophyll a concentration occurred during the experiment. Accordingly the experiment was divided in three phases. Overall cumulative NCP was similar in all mesocosms by the final day of experiment. However, NCP varied among phases, showing variable response to CO2 perturbation. Carbon to nitrogen (C:N) and carbon to phosphorus (C: P) uptake ratios were estimated only for the period after nutrient addition (post-nutrient period). For the total post-nutrient period ratios were close to Redfield proportions, however varied from it in different phases. The response of C:N and C: P uptake ratios to CO2 perturbation was different for three phases of the experiment, reflecting variable NCP and dependence on changing microbial community. Through the variable NCP, C:N and C: P uptake ratios for 31 days of the experiment we show a flexibility of biogeochemical response establishing a strong microbial loop in Kongsfjorden under different CO2 scenarios. [ABSTRACT FROM AUTHOR]

In this paper, the Hessian matrix of valence bond (VB) self-consistent field (VBSCF) energy with respect to orbitals are evaluated by applying the nonorthogonal orbital based N-body reduced density matrices, which was presented in Paper I. To this end, an automatic formula/code generator (AFCG) is developed; with which the matrix elements between internally contracted excited configurations of VB wave function and the corresponding codes are generated automatically. Compared to the tedious manual formula deducing and implementing, AFCG is much more convenient and efficient, and enables us to avoid troublesome debugging. With the help of AFCG, the Hessian-based Newton-Raphson algorithm is implemented for the VBSCF orbital optimization. Test calculations indicate that the Newton-Raphson algorithm converges quadratically and has much better convergence behavior than the gradient-based LBFGS algorithms. Furthermore, a combined approach with LBFGS and Newton-Raphson algorithms is applied to reduce the total CPU time of the calculation. [ABSTRACT FROM AUTHOR]

The paper addresses the problem of determining the field of a reflected wave in a multiscale inhomogeneous medium, which consists of a background deterministic large-scale irregularity and multiscale random irregularities with scales both larger and smaller than the wavelength. A layer with a linear permittivity profile is taken as the background irregularity. The small-scale irregularities are responsible for wide-angle scattering including backscattering. The first approximation of the perturbation theory is used to account for scattering from these irregularities. As the zero approximation and Green's function in determining the field backscattered by small-scale irregularities, we utilize the integral representation of the field, obtained in our earlier work by combining the method of double weighted Fourier transform (DWFT) and the Fock proper-time method. Asymptotic methods are used to reduce the sevenfold integral representation of a field to lower-order integrals. Conditions for validity of such representations are obtained. Formulas of the frequency coherence functions of waves reflected and backscattered from the turbulent plasma layer are given. The paper presents the results of the simulation of pulse sounding of a randomly inhomogeneous reflecting plasma layer demonstrating the effect of large-scale irregularities on backscattering by small-scale irregularities. [ABSTRACT FROM AUTHOR]

The main purpose of this paper is to derive a new perturbation theory (PT) that has converging series. Such series arise in the nonlocal scalar quantum field theory (QFT) with fractional power potential. We construct a PT for the generating functional (GF) of complete Green functions (including disconnected parts of functions) Z j as well as for the GF of connected Green functions G j = ln Z j in powers of coupling constant g. It has infrared (IR)-finite terms. We prove that the obtained series, which has the form of a grand canonical partition function (GCPF), is dominated by a convergent series—in other words, has majorant, which allows for expansion beyond the weak coupling g limit. Vacuum energy density in second order in g is calculated and researched for different types of Gaussian part S 0 [ ϕ ] of the action S [ ϕ ] . Further in the paper, using the polynomial expansion, the general calculable series for G j is derived. We provide, compare and research simplifications in cases of second-degree polynomial and hard-sphere gas (HSG) approximations. The developed formalism allows us to research the physical properties of the considered system across the entire range of coupling constant g, in particular, the vacuum energy density. [ABSTRACT FROM AUTHOR]