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We investigate different approaches to derive the proper Floquet-based quantum–classical Liouville equation (F-QCLE) for laser-driven electron-nuclear dynamics. The first approach projects the operator form of the standard QCLE onto the diabatic Floquet basis and then transforms to the adiabatic representation. The second approach directly projects the QCLE onto the Floquet adiabatic basis. Both approaches yield a form that is similar to the usual QCLE with two modifications: (1) The electronic degrees of freedom are expanded to infinite dimension and (2) the nuclear motion follows Floquet quasi-energy surfaces. However, the second approach includes an additional cross derivative force due to the dual dependence on time and nuclear motion of the Floquet adiabatic states. Our analysis and numerical tests indicate that this cross derivative force is a fictitious artifact, suggesting that one cannot safely exchange the order of Floquet state projection with adiabatic transformation. Our results are in accord with similar findings by Izmaylov et al., [J. Chem. Phys. 140, 084104 (2014)] who found that transforming to the adiabatic representation must always be the last operation applied, although now we have extended this result to a time-dependent Hamiltonian. This paper and the proper derivation of the F-QCLE should lay the basis for further improvements of Floquet surface hopping. [ABSTRACT FROM AUTHOR]

In a previous paper, a calculation system for a high-accuracy, high-speed calculation of a one-dimensional (1D) Poisson equation based on the interpolation finite difference method was shown. Spatial high-order finite difference (FD) schemes, including a usual second-order accurate centered space FD scheme, are instantaneously derived on the equally spaced/unequally spaced grid points based on the definition of the Lagrange polynomial function. The upper limit of the higher order FD scheme is not theoretically limited but is studied up to the tenth order, following the previous paper. In the numerical analyses of the 1D Poisson equation published in the previous paper, the FD scheme setting method, SAPI (m), m = 2, 4, ..., 10, was defined. Due to specifying the value of m, the setting of FD schemes is uniquely defined. This concept is extended to the numerical analysis of two-dimensional Poisson equations. In this paper, we focus on Poiseuille flows passing through arbitrary cross sections as numerical calculation examples. Over regular and irregular domains, three types of FD methods—(i) forward time explicit method, (ii) time marching successive displacement method, and (iii) alternative direction implicit method—are formulated, and their characteristics of convergence and numerical calculation errors are investigated. The numerical calculation system of the 2D Poisson equation formulated in this paper enables high-accuracy and high-speed calculation by the high-order difference in an arbitrary domain. Especially in the alternative direction implicit method using the band diagonal matrix algorithm, convergence is remarkably accelerated, and high-speed calculation becomes possible. [ABSTRACT FROM AUTHOR]

Among the methods of the numerical analysis of the physical phenomena of the continuum, the finite difference method (FDM) is the first examined method and has been established as a full numerical calculation system over the regular domain. However, there is a general perception that generality in numerical calculations cannot be expected over complex irregular domains. As using the FDM, the development of computational methods that are applicable over any irregular domain is considered to be a very important contemporary problem. In the FDM, there is a marked characteristic that the theory developed by the (spatial) one-dimensional (1D) problem is naturally applied to the 2D and 3D problems. The calculation method is called the interpolation FDM (IFDM). In this paper, attention is paid to 1D Laplace and Poisson equations, and the whole image of the IFDM using the algebraic polynomial interpolation method (APIM), the IFDM-APIM, is described. Based on the Lagrange interpolation function, the spatial difference schemes from 2nd order to 10th order including odd order are calculated and defined instantaneously over equally/unequally spaced grid points, then, high-order accurate and high-speed computations become possible. [ABSTRACT FROM AUTHOR]

A physically based compact analytical model is proposed for a ferromagnetic single electron transistor (FSET). This model is based on the orthodox theory and solves the master equation, spin conservation equation, and charge neutrality equation simultaneously. The model can be applied to both symmetric and asymmetric devices and does not introduce any limitation on the applied bias voltages. This feature makes the model suitable for both analog and digital applications. To verify the accuracy of the model, its results regarding a typical FSET in both low and high voltage regimes are compared with the existing numerical results. Moreover, the model's results of a parallel configuration FSET, where no spin accumulation exists in the island, are compared with the results obtained from a Monte Carlo simulation using SIMON. These two comparisons show that our model is valid and accurate. As another comparison, the model is compared analytically with an existing model for a double barrier ferromagnetic junction (having no gate). This also verifies the accuracy of the model. [ABSTRACT FROM AUTHOR]

This research explores the solution of the time-fractional Newell–Whitehead–Segel equation using two separate methods: the optimal auxiliary function method and a new iterative method. The Newell–Whitehead–Segel equation holds significance in modeling nonlinear systems, particularly in delineating stripe patterns within two-dimensional systems. Employing the Caputo fractional derivative operator, we address two case study problems pertaining to this equation through our proposed methods. Comparative analysis between the numerical results obtained from our techniques and an exact solution reveals a strong alignment. Graphs and tables illustrate this alignment, showcasing the effectiveness of our methods. Notably, as the fractional orders vary, the results achieved at different fractional orders are compared, highlighting their convergence toward the exact solution as the fractional order approaches an integer. Demonstrating both interest and simplicity, our proposed methods exhibit high accuracy in resolving diverse nonlinear fractional order partial differential equations. [ABSTRACT FROM AUTHOR]

We study localized patterns in an exact mean-field description of a spatially extended network of quadratic integrate-and-fire neurons. We investigate conditions for the existence and stability of localized solutions, so-called bumps, and give an analytic estimate for the parameter range, where these solutions exist in parameter space, when one or more microscopic network parameters are varied. We develop Galerkin methods for the model equations, which enable numerical bifurcation analysis of stationary and time-periodic spatially extended solutions. We study the emergence of patterns composed of multiple bumps, which are arranged in a snake-and-ladder bifurcation structure if a homogeneous or heterogeneous synaptic kernel is suitably chosen. Furthermore, we examine time-periodic, spatially localized solutions (oscillons) in the presence of external forcing, and in autonomous, recurrently coupled excitatory and inhibitory networks. In both cases, we observe period-doubling cascades leading to chaotic oscillations. [ABSTRACT FROM AUTHOR]