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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Loop series expansions for tensor networks

Belief propagation (BP) can be a useful tool to approximately contract a tensor network, provided that the contributions from any closed loops in the network are sufficiently weak. In this article, we describe how a loop series expansion can be applied to systematically improve the accuracy of a BP approximation to a tensor network contraction, in principle converging arbitrarily close to the exact result. More generally, our result provides a framework for expanding a tensor network as a sum of component networks in a hierarchy of increasing complexity. We benchmark this proposal for the contraction of infinite projected entangled pair states, either representing the ground state of an Affleck-Kennedy-Lieb-Tasaki (AKLT) model or with randomly defined tensors, where it is shown to improve in accuracy over standard BP by several orders of magnitude while incurring only a minor increase in computational cost. These results indicate that the proposed series expansions could be a useful tool to accurately evaluate tensor networks in cases that otherwise exceed the limits of established contraction routines.

Evenbly, Glen [AWS Center for Quantum Computing, P↗
DOE OSTI2021

Quantum Algorithm for Simulating Hamiltonian Dynamics with an Off-diagonal Series Expansion

We propose an efficient quantum algorithm for simulating the dynamics of general Hamiltonian systems. Our technique is based on a power series expansion of the time-evolution operator in its off-diagonal terms. The expansion decouples the dynamics due to the diagonal component of the Hamiltonian from the dynamics generated by its off-diagonal part, which we encode using the linear combination of unitaries technique. Our method has an optimal dependence on the desired precision and, as we illustrate, generally requires considerably fewer resources than the current state-of-the-art. We provide an analysis of resource costs for several sample models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Ground state energies from converging and diverging power series expansions

It is often assumed that bound states of quantum mechanical systems are intrinsically non-perturbative in nature and therefore any power series expansion methods should be inapplicable to predict the energies for attractive potentials. However, if the spatial domain of the Schrödinger Hamiltonian for attractive one-dimensional potentials is confined to a finite length L, the usual Rayleigh–Schrödinger perturbation theory can converge rapidly and is perfectly accurate in the weak-binding region where the ground state’s spatial extension is comparable to L. Once the binding strength is so strong that the ground state’s extension is less than L, the power expansion becomes divergent, consistent with the expectation that bound states are non-perturbative. However, we propose a new truncated Borel-like summation technique that can recover the bound state energy from the diverging sum. We also show that perturbation theory becomes divergent in the vicinity of an avoided-level crossing. Here the same numerical summation technique can be applied to reproduce the energies from the diverging perturbative sums.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Collision of localized shocks in AdS 5 as a series expansion in transverse gradients

We introduce a computational framework to more efficiently calculate the collision of localized shocks in five dimensional asymptotically Anti-de Sitter space. We expand the Einstein equations in transverse gradients and find that our numerical results agree well with exact solutions already at first order in the expansion. Moreover, the Einstein equations at first order in transverse gradients can be decoupled into two sets of differential equations. Here, the bulk fields of one of these sets has only a negligible contribution to boundary observables, such that the computation on each time slice can be simplified to the solution of several planar shockwave equations plus four further differential equations for each transverse plane ‘pixel’. At the cost of errors of ≲ 10% at the hydrodynamization time and for low to mid rapidities, useful numerical solutions can be sped up by roughly one order of magnitude.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Shock wave polarizations and optical metrics in the Born and the Born–Infeld electrodynamics

We analyze the behavior of shock waves in nonlinear theories of electrodynamics. For this, by use of generalized Hadamard step functions of increasing order, the electromagnetic potential is developed in a series expansion near the shock wave front. This brings about a corresponding expansion of the respective electromagnetic field equations which allows for deriving relations that determine the jump coefficients in the expansion series of the potential. We compute the components of a suitable gauge-normalized version of the jump coefficients given for a prescribed tetrad compatible with the shock front foliation. The solution of the first-order jump relations shows that, in contrast to linear Maxwell’s electrodynamics, in general the propagation of shock waves in nonlinear theories is governed by optical metrics and polarization conditions describing the propagation of two differently polarized waves (leading to a possible appearance of birefringence). In detail, shock waves are analyzed in the Born and Born–Infeld theories verifying that the Born–Infeld model exhibits no birefringence and the Born model does. The obtained results are compared to those ones found in literature. New results for the polarization of the two different waves are derived for Born-type electrodynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Fast and accurate implementation of Fourier spectral approximations of nonlocal diffusion operators and its applications

This work is concerned with the Fourier spectral approximation of various integral differential equations associated with some linear nonlocal diffusion and peridynamic operators under periodic boundary conditions. For radially symmetric kernels, the nonlocal operators under consideration are diagonalizable in the Fourier space so that the main computational challenge is on the accurate and fast evaluation of their eigenvalues or Fourier symbols consisting of possibly singular and highly oscillatory integrals. For a large class of fractional power-like kernels, we propose a new approach based on reformulating the Fourier symbols both as coefficients of a series expansion and solutions of some simple ODE models. We then propose a hybrid algorithm that utilizes both truncated series expansions and high order Runge–Kutta ODE solvers to provide fast evaluation of Fourier symbols in both one and higher dimensional spaces. It is shown that this hybrid algorithm is robust, efficient and accurate. As applications, we combine this hybrid spectral discretization in the spatial variables and the fourth-order exponential time differencing Runge–Kutta for temporal discretization to offer high order approximations of some nonlocal gradient dynamics including nonlocal Allen–Cahn equations, nonlocal Cahn–Hilliard equations, and nonlocal phase-field crystal models. Numerical results show the accuracy and effectiveness of the fully discrete scheme and illustrate some interesting phenomena associated with the nonlocal models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

An Inverse Factorial Series for a General Gamma Ratio and Related Properties of the Nørlund–Bernoulli Polynomials

The inverse factorial series expansion for the ratio of products of gamma functions whose arguments are linear functions of the variable is found. A recurrence relation for the coefficients in terms of the Nørlund–Bernoulli polynomials is provided, and the half-plane of convergence is determined. The results obtained naturally supplement a number of previous investigations of the gamma ratios, which began in the 1930-ies. The expansion obtained in this paper plays a crucial role in the study of the behavior of the delta-neutral Fox’s H-function in the neighborhood of its finite singular point. A particular case of the inverse factorial series expansion is used in deriving a possibly new identity for the Nørlund–Bernoulli polynomials.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

TSEUQLib

TSEUQLib (Taylor Series Expansion Uncertainty Quantification Library): Conduct UQ and sensitivity analysis with the Taylor series expansion surrogate model.

Balcer, Matthew↗
DOE OSTI2016

Explicit expressions of quantum mechanical rotation operators for spins 1 to 2

Quantum mechanical rotation operators are the subject of quantum mechanics, mathematics and pulsed magnetic resonance spectroscopies, namely NMR, EPR and ENDOR. They are also necessary for spin based quantum information systems. The rotation operators of spin 1/2 are well known and can be found in related textbooks. But rotation operators of other spins greater than 1/2 can be found numerically by evaluating the series expansions of exponential operator obtained from Schrödinger equation, or by evaluating Wigner-d formula or by evaluating recently established expressions in polynomial forms discussed in the text. In this work, explicit symbolic expressions of x, y and z components of rotation operators for spins 1 to 2 are worked out by evaluating series expansion of exponential operator for each element of operators and utilizing linear curve fitting process. The procedures gave out exact expressions of each element of the rotation operators. The operators of spins greater than 2 are under study and will be published in a separate paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Transport and optical conductivity in the Hubbard model: A high-temperature expansion perspective

We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension d as well as the infinite- d limit, arbitrary electron density n, and both finite and infinite repulsion U. We use moment-reconstruction methods to obtain the one-electron spectral function, the self-energy, and the optical conductivity. They are all smooth functions at high temperature and, at large U, they are featureless with characteristic widths of the order of the lattice hopping parameter t. In the infinite-d limit, we compare the series expansion results with accurate numerical renormalization group and interaction expansion quantum Monte Carlo results. We find excellent agreement down to surprisingly low temperatures, throughout most of the bad-metal regime, which applies for T≳ (1 - n)D, the Brinkman-Rice scale. The resistivity increases linearly in T at high temperature without saturation. This results from the 1/T behavior of the compressibility or kinetic energy, which play the role of the effective carrier number. In contrast, the scattering time (or diffusion constant) saturates at high T. We find that σ( n,T) ≈ (1 - n)σ(n = 0,T) to a very good approximation for all n, with σ(n = 0,T) ∝ t/T at high temperatures. The saturation at small n occurs due to a compensation between the density dependence of the effective number of carriers and that of the scattering time. The T dependence of the resistivity displays a kneelike feature which signals a crossover to the intermediate-temperature regime where the diffusion constant (or scattering time) starts increasing with decreasing T. At high temperatures, the thermopower obeys the Heikes formula, while the Wiedemann-Franz law is violated with the Lorenz number vanishing as 1/T 2 . The relevance of our calculations to experiments probing high-temperature transport in materials with strong electronic correlations or ultracold atomic gases in an optical lattice is briefly discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Computation of magnetic fields from field components on a plane grid

An algorithm is presented to calculate the field components of the magnetic field [B x (x, y, z), B y (x, y, z), B z (x, y, z)] at a point (x, y, z) in space, from the knowledge of the components [B x (x, y) = 0, z), B y (x, y = 0, z), B z (x, y = 0,z)] on a “reference plane”, which is normal to the y-axis at . The algorithm, which is a general one and is not restricted to fields with mid-plane symmetry is based on the Maclaurin series expansion of the magnetic field components at any point in space in terms of the distance (y) of the point from the reference plane. The coefficients of the Maclaurin series expansion are expressed in terms of the on-plane field components and their partial derivatives with respect to spatial coordinates (). The field components are usually generated from magnetic field measurements on a rectangular grid on the plane. This algorithm was employed in 1986 in the RAYTRACE computer code to help calculate the optical properties of magnets and of the Alternating Gradient Synchrotron (AGS) at the Brookhaven National Laboratory (BNL). Here, a general mathematical formulation of this algorithm based on the differential algebraic method was presented by Makino in 2011. This paper presents the step by step derivation of the algorithm and provides the necessary formulas to be introduced by the reader in any computer code which requires the field components generated by magnetic devices. In addition provides an example of the use of the algorithm and its limitations as applied to a Halbach type magnet with or without median plane symmetry.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Algorithm to calculate off-plane magnetic field from an on-plane field map

An algorithm is presented to calculate the field components [B x (x,y,z), B y (x,y,z), B z (x,y,z)] of the magnetic field at a point (x,y,z) in space, from the knowledge of the components [B x (x,y = 0,z), B y (x,y = 0,z), B z (x,y = 0,z)] on a ”reference plane”, which is normal to the y-axis at y=0. The algorithm, which is a general one and is not restricted to fields with mid-plane symmetry is based on the Taylor series expansion of the magnetic field components at any point in space in terms of the distance (y) of the point from the reference plane. The coefficients of the Taylor series expansion are expressed in terms of the on-plane field components and their partial derivatives with respect to spatial coordinates (x,z). The field components are usually generated from magnetic field measurements on a rectangular grid on the plane. The required partial derivatives of the field components on the plane can be computed with two methods; numerically, or by fitting a polynomial function to the experimentally measured values of the field components and subsequently take the required partial derivatives of the polynomial function. Each of these two method which calculates the partial derivatives of the field components on the plane, is applied to calculate the off-plane field components of the magnetic field generated by a modified Halbach magnet [1] of inner radius of 4.4 cm and it is found that each method provides accurate results with a relative error <1% deviation from the ”ideal” fields if the y distance of the point from the reference plane is smaller than 2 cm. This algorithm is part of the RAYTRACE computer code [2] and has been applied [3] on a dipole magnet with median plane symmetry.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Casimir recursion relations for general conformal blocks

We study the structure of series expansions of general spinning conformal blocks. We find that the terms in these expansions are naturally expressed by means of special functions related to matrix elements of Spin(d) representations in Gelfand-Tsetlin basis, of which the Gegenbauer polynomials are a special case. We study the properties of these functions and explain how they can be computed in practice. We show how the Casimir equation in Dolan-Osborn coordinates leads to a simple one-step recursion relation for the coefficients of the series expansion of general spinning conformal block. The form of this recursion relation is determined by 6j symbols of Spin(d – 1). In particular, it can be written down in closed form in d = 3, d = 4, for seed blocks in general dimensions, or in any other situation when the required 6j symbols can be computed. As a result, we work out several explicit examples and briefly discuss how our recursion relation can be used for efficient numerical computation of general conformal blocks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Window convolution of the galaxy clustering bispectrum

In galaxy survey analysis, the observed clustering statistics do not directly match theoretical predictions but rather have been processed by a window function that arises from the survey geometry including the sky footprint, redshift-dependent background number density and systematic weights. While window convolution of the power spectrum is well studied, for the bispectrum with a larger number of degrees of freedom, it poses a significant numerical and computational challenge. In this work, we consider the effect of the survey window in the tripolar spherical harmonic decomposition of the bispectrum and lay down a formal procedure for their convolution via a series expansion of configuration-space three-point correlation functions, which was first proposed by Sugiyama et al. (2019). We then provide a linear algebra formulation of the full window convolution, where an unwindowed bispectrum model vector can be directly premultiplied by a window matrix specific to each survey geometry. To validate the pipeline, we focus on the Dark Energy Spectroscopic Instrument (DESI) Data Release 1 (DR1) luminous red galaxy (LRG) sample in the South Galactic Cap (SGC) in the redshift bin 0.4 ≤ z ≤ 0.6. We first perform convergence checks on the measurement of the window function from discrete random catalogues, and then investigate the convergence of the window convolution series expansion truncated at a finite of number of terms as well as the performance of the window matrix. This work highlights the differences in window convolution between the power spectrum and bispectrum, and provides a streamlined pipeline for the latter for current surveys such as DESI and the Euclid mission.

79 ASTRONOMY AND ASTROPHYSICS↗