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In theories of numerical stability, roots to a characteristic polynomial are sought, which, in the case of the predictor with iterative correction method of numerical integration, are eigenvalues of a matrix whose elements depend on the coefficients used in the integration process. The characteristic polynomial is displayed explicitly in terms of the elements of the characteristic matrix.
We present a matrix product operator construction that allows us to represent the lattice Hamiltonians of (abelian or non-abelian) gauge theories in a local and manifestly translation-invariant form. In particular, we use symmetric matrix product states and introduce link-enhanced matrix product operators (LEMPOs) that can act on both the physical and virtual spaces of the matrix product states. This construction allows us to study Hamiltonian lattice gauge theories on infinite lattices. As examples, we show how to implement this method to study the massless and massive one-flavor Schwinger model and adjoint QCD 2 .
Probabilistic model for analyzing changes through time in binary dyadic relation on finite set of points
At nonzero temperatures, the deconfining phase transition can be analyzed using an effective matrix model to characterize the change in holonomy. The model includes gluons and two-dimensional ghost fields in the adjoint representation, or “teens.” As ghosts, the teen fields are responsible for the decrease of the pressure as 𝑇 →𝑇 𝑑 , with 𝑇 𝑑 the transition temperature for deconfinement. Using the solution of this matrix model for a large number of colors, the parameters of the teen fields are adjusted so that the expectation value of the Polyakov loop is close to the values from the lattice. The shear, 𝜂, and bulk, 𝜁, viscosities are computed at nonzero holonomy to leading logarithmic order in weak coupling. In the pure glue theory, the value of the Polyakov loop is relatively large in the deconfined phase, ≈1/2 at 𝑇 𝑑 . Consequently, if 𝑠 is the entropy density, while 𝜂/𝑠 decreases as 𝑇 →𝑇 𝑑 , it is still well above the conformal bound. In contrast, 𝜁/𝑠 is largest at 𝑇 𝑑 , comparable to 𝜂/𝑠, then falls off rapidly with increasing temperature and is negligible by ∼2𝑇 𝑑 .
Application of Brouwer artificial satellite theory to computation of state transition matrix
Line shape parameters including the half-widths and the off-diagonal elements of the relaxation matrix have been calculated for self-broadened NH3 lines in the perpendicular v4 band. As in the pure rotational and the parallel v1 bands, the small inversion splitting in this band causes a complete failure of the isolated line approximation. As a result, one has to use formalisms not relying on this approximation. However, due to differences between parallel and perpendicular bands of NH3, the applicability of the formalism used in our previous studies of the v1 band and other parallel bands must be carefully verified. We have found that, as long as potential models only contain components with K1 equals K2 equals 0, whose matrix elements require the selection rule delta k equals 0, the formalism is applicable for the v4 band with some minor adjustments. Based on both theoretical considerations and results from numerical calculations, the non-diagonality of the relaxation matrices in all the PP, RP, PQ, RQ, PR, and RR branches is discussed. Theoretically calculated self-broadened half-widths are compared with measurements and the values listed in HITRAN 2012. With respect to line coupling effects, we have compared our calculated intra-doublet off-diagonal elements of the relaxation matrix with reliable measurements carried out in the PP branch where the spectral environment is favorable. The agreement is rather good since our results do well reproduce the observed k and j dependences of these elements, thus validating our formalism.
No abstract available
Various features of the application of Lie theory to matrix Riccati equations, of basic importance in control and system theories, are discussed. Particular consideration is given to centralizer foliation, the Cartan decomposition, matrix Riccati equations as Lie systems on Grassmanians, local analysis near a zero point of a vector field, linearization in homogeneous space, the tangent bundle in terms of partitioned matrices, and stability properties of fixed points of Riccati vector fields.
Fixed point probability row vector of regular or ergodic transition matrices simplified using generalized matrix inversion theory
FORTRAN 4 subroutines for coupling coefficients and matrix elements in quantum mechanical theory of angular momentum
The micromechanical constitutive theory is used to examine the nonlinear behavior of continuous-fiber-reinforced metal-matrix composite structures. Effective lamina constitutive relations based on the Abouli micromechanics theory are presented. The inelastic matrix behavior is modeled by the unified viscoplasticity theory of Bodner and Partom. The laminate constitutive relations are incorporated into a first-order deformation plate theory. The resulting boundary value problem is solved by utilizing the finite element method. Attention is also given to computational aspects of the numerical solution, including the temporal integration of the inelastic strains and the spatial integration of bending moments. Numerical results the nonlinear response of metal matrix composites subjected to extensional and bending loads are presented.
An exact analytic solution to the one-dimensional scattering problem with arbitrary single scattering albedo and arbitrary surface albedo is presented. Expressions are given for the emergent flux from a homogeneous layer, the internal flux within the layer, and the radiative heating. A comparison of these results with the values calculated from the matrix operator theory indicates an exceedingly high accuracy. A detailed study is made of the error in the matrix operator results and its dependence on the accuracy of the starting value.
We present a massively parallel GPU-accelerated implementation of the Bethe–Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting from single-particle eigenvalues and eigenvectors obtained with density functional theory. The algorithms adopted here circumvent the slowly converging sums over empty and occupied states and the inversion of large dielectric matrices through a density matrix perturbation theory approach and a low-rank decomposition of the screened Coulomb interaction, respectively. Further computational savings are achieved by exploiting the nearsightedness of the density matrix of semiconductors and insulators to reduce the number of screened Coulomb integrals. We scale our calculations to thousands of GPUs with a hierarchical loop and data distribution strategy. The efficacy of our method is demonstrated by computing the VEEs of several spin defects in wide-band-gap materials, showing that supercells with up to 1000 atoms are necessary to obtain converged results. We discuss the validity of the common approximation that solves the BSE with truncated sums over empty and occupied states. In conclusion, we then apply our GW-BSE implementation to a diamond lattice with 1727 atoms to study the symmetry breaking of triplet states caused by the interaction of a point defect with an extended line defect.
Some 40 publications that appeared in scientific journals from 1973 to 1981 as well as 45 scientific reports issued during the grant period are listed by title. Topics cover the development of a matrix operator theory of radiative transfer which made possible the exact model calculations of the radiance as a function of height in planetary atmospheres; calculation of the Mie phase matrix for various types of particles as well as for radiance and polarization in planetary atmospheres; analysis of high dispersion spectroscopic observations of Venus; calculation of curves of growth for Venus; the development of a theory for calculating radiative transfer in spherical shell atmospheres; investigations of zonal winds on Venus; and examination of Rayleigh scattering.
Consideration is given to the problem of matrix root clustering in subregions of a complex plane for linear state space models with real parameter uncertainty. The nominal matrix root clustering theory of Gutman & Jury (1981) using the generalized Liapunov equation is extended to the perturbed matrix case, and bounds are derived on the perturbation to maintain root clustering inside a given region. The theory makes it possible to obtain an explicit relationship between the parameters of the root clustering region and the uncertainty range of the parameter space.
Generalized matrix inversion theory used in formulating recursive algorithm for least squares parameter estimation
We report on the use of the adaptively compressed exchange (ACE) operator to accelerate many-body perturbation theory (MBPT) calculations, including G 0 W 0 and the Bethe–Salpeter equation (BSE), for hybrid density functional theory starting points. We show that by approximating the exact exchange operator with the low-rank ACE operator, substantial computational savings can be achieved with systematically controllable errors in the quasiparticle energies computed with full-frequency G 0 W 0 and the optical absorption spectra and vertical excitation energies computed by solving the BSE within density matrix perturbation theory. Our implementation makes use of the ACE-accelerated electronic Hamiltonian to carry out both G 0 W 0 and BSE without explicitly computing empty states. We show the robustness of the approach and present the computational gains obtained on both the central processing unit and graphics processing unit nodes. In conclusion, our work will facilitate the exploration and evaluation of fine-tuned hybrid starting points aimed at enhancing the accuracy of MBPT calculations without involving computationally demanding self-consistency in Hedin’s equations.
A method is presented for shortening the computations required to determine the steady-state span loading on flexible wings in subsonic flight. The method makes use of tables of downwash factors to find the necessary aerodynamic-influence coefficients for the application of lifting-line theory. Explicit matrix equations of equilibrium are converted into a matrix power series with a finite number of terms by utilizing certain characteristic properties of matrices. The number of terms in the series is determined by a trial-and-error process dependent upon the required accuracy of the solution. Spanwise distributions of angle of attack, airload, shear, bending moment, and pitching moment are readily obtained as functions of qm(sub R) where q denotes the dynamic pressure and mR denotes the lift-curve slope of a rigid wing. This method is intended primarily to make it practical to solve steady-state aeroelastic problems on the ordinary manually operated desk calculators, but the method is also readily adaptable to automatic computing equipment.