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The momentum-space derivatives of Bloch wavefunctions are essential for studying quantum geometry and the equilibrium and response properties of solids. In practical first-principles calculations, these derivatives are obtained via Wannier…

Materials Science · Physics 2026-04-27 Jae-Mo Lihm , Minsu Ghim , Seung-Ju Hong , Cheol-Hwan Park

We present a method of incorporating the discrete dipole approximation (DDA) method with the point matching method to formulate the T-matrix for modeling arbitrarily shaped micro-sized objects. The \emph{T}-matrix elements are calculated…

We analyze effective approximation of unitary matrices. In our formulation, a unitary matrix is represented as a product of rotations in two-dimensional subspaces, so-called Givens rotations. Instead of the quadratic dimension dependence…

Optimization and Control · Mathematics 2019-05-16 Thomas Frerix , Joan Bruna

We describe and implement a first-principles algorithm based on maximally-localized Wannier functions for calculating the shift-current response of piezoelectric crystals in the independent-particle approximation. The proposed algorithm…

Materials Science · Physics 2018-06-29 Julen Ibañez-Azpiroz , Stepan S. Tsirkin , Ivo Souza

This paper provides an accurate method to obtain the bidiagonal factorization of many generalized Pascal matrices, which in turn can be used to compute with high relative accuracy the eigenvalues, singular values and inverses of these…

Numerical Analysis · Mathematics 2025-01-22 Jorge Delgado , Héctor Orera , Juan Manuel Peña

The diagonalization of general mass matrices is a more delicate problem when eigenvalue degeneracies exist. In this case, often overlooked in the literature, some difficulties arise related to the freedom in the choice of basis in…

High Energy Physics - Phenomenology · Physics 2015-06-25 J. A. Aguilar-Saavedra

Differential reformulations of field theories are often used for explicit computations. We derive a one-matrix differential formulation of two-matrix models, with the help of which it is possible to diagonalize the one- and two-matrix…

Mathematical Physics · Physics 2022-10-05 Joren Brunekreef , Luca Lionni , Johannes Thürigen

We consider the problem of computing the integral $$ \int_{\mathcal{U}(d)} u_{i_1j_1}\cdots u_{i_nj_n} \bar{u}_{i'_1j'_1} \cdots \bar{u}_{i'_{n'}j'_{n'}} dU, $$ where the integration takes place with respect to the probability Haar measure…

Probability · Mathematics 2021-03-01 Georg Köstenberger

We present a numerical scheme to solve the Wigner equation, based on a lattice discretization of momentum space. The moments of the Wigner function are recovered exactly, up to the desired order given by the number of discrete momenta…

Computational Physics · Physics 2018-08-31 Sergio Solorzano , Miller Mendoza , Sauro Succi , Hans Herrmann

We present a method to calculate integrals over monomials of matrix elements with invariant measures in terms of Wick contractions. The method gives exact results for monomials of low order. For higher--order monomials, it leads to an error…

Mathematical Physics · Physics 2015-06-26 T. Prosen , T. H. Seligman , H. A. Weidenmueller

This paper contains a brief sketch of some methods that can be used to obtain the Wigner function for a number of systems. We give an overview of the technique as it is applied to some simple differential systems related to diffusion…

Quantum Physics · Physics 2023-06-05 P. G. Morrison

We present an efficient implementation for the evaluation of Wigner 3j, 6j, and 9j symbols. These represent numerical transformation coefficients that are used in the quantum theory of angular momentum. They can be expressed as sums and…

Computational Physics · Physics 2016-02-25 H. T. Johansson , C. Forssén

This paper describes a numerical formulation for calculating wave propagation with high precision in a three-dimensional system. Yee's discretization scheme is used to formulate a frequency domain method that is compatible with the…

Computational Physics · Physics 2013-02-21 Tatsuya Usuki

An exact Jordan-Wigner type of transformation is presented in 1D connecting spin-1/2 operators to spinful canonical Fermi operators. The transformation contains two free parameters allowing a broad interconnection possibility in between…

Strongly Correlated Electrons · Physics 2025-03-25 Zsolt Gulacsi

Two methods for fast Fourier transforms are used in a quantum context. The first method is for systems with dimension of the Hilbert space $D=d^n$ with $d$ an odd integer, and is inspired by the Cooley-Tukey formalism. The `large Fourier…

Quantum Physics · Physics 2024-05-09 C. Lei , A. Vourdas

We survey a new application of the Weil representation to construct a canonical basis of eigenvectors for the discrete Fourier transform (DFT). The transition matrix from the standard basis to the canonical basis defines a novel transform…

Information Theory · Computer Science 2009-02-05 SHamgar Gurevich , Ronny Hadani

A recent paper computed the induced $p$-norm of a special class of circulant matrices $A(n,a,b) \in \mathbb{R}^{n \times n}$, with the diagonal entries equal to $a \in \mathbb{R}$ and the off-diagonal entries equal to $b \ge 0$. We provide…

Functional Analysis · Mathematics 2021-11-23 K. R. Sahasranand

The recent paper "Finite size effects in the averaged eigenvalue density of Wigner random-sign real symmetric matrices" by G.S. Dhesi and M. Ausloos [Phys. Rev. E 93 (2016), 062115] uses the replica method to compute the $1/N$ correction to…

Mathematical Physics · Physics 2019-03-27 Peter J. Forrester , Allan K. Trinh

A general principle says that the matrix of a Fourier integral operator with respect to wave packets is concentrated near the curve of propagation. We prove a precise version of this principle for Fourier integral operators with a smooth…

Functional Analysis · Mathematics 2014-07-17 Elena Cordero , Karlheinz Gröchenig , Fabio Nicola

In calculating integral or discrete transforms, use has been made of fast algorithms for multiplying vectors by matrices whose elements are specified as values of special (Chebyshev, Legendre, Laguerre, etc.) functions. The currently…

Numerical Analysis · Mathematics 2022-08-11 Andrew V. Terekhov