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The authors present SHarmonic, a new implementation of the spherical harmonics targeted for electronic-structure calculations. Their approach is to use explicit formulas for the harmonics written in terms of normalized Cartesian…

Computational Physics · Physics 2025-10-08 Xavier Andrade , Jacopo Simoni , Yuan Ping , Tadashi Ogitsu , Alfredo A. Correa

The spherical harmonic transform is a powerful tool in the analysis of spherical data sets, such as the cosmic microwave background data. In this work, we present a new scheme for the spherical harmonic transforms that supports both CPU and…

Instrumentation and Methods for Astrophysics · Physics 2022-11-18 Chi Tian , Siyu Li , Hao Liu

Associated Legendre polynomials and spherical harmonics are central to calculations in many fields of science and mathematics - not only chemistry but computer graphics, magnetic, seismology and geodesy. There are a number of algorithms for…

Chemical Physics · Physics 2014-12-23 Taweetham Limpanuparb , Josh Milthorpe

Vector spherical harmonics on the unit sphere of $\mathbb{R}^3$ have broad applications in geophysics, quantum mechanics and astrophysics. In the representation of a tangent vector field, one needs to evaluate the expansion and the Fourier…

Numerical Analysis · Mathematics 2021-03-25 Quoc T. Le Gia , Ming Li , Yu Guang Wang

Many areas of science and engineering encounter data defined on spherical manifolds. Modelling and analysis of spherical data often necessitates spherical harmonic transforms, at high degrees, and increasingly requires efficient computation…

Computational Physics · Physics 2025-06-19 Matthew A. Price , Jason D. McEwen

In this paper, we present the implicit equations for one special class of real-valued spherical harmonics with octahedral symmetry. Based on this representation, we construct the rotationally invariant measure of deviation from the…

Graphics · Computer Science 2022-09-20 Yuri Nesterenko

The spherical harmonics $Y_{\ell m}(\theta,\varphi)$ are complex-valued functions on the surface of a sphere, and have found widespread application in physics and astronomy. Every physics students knows them from quantum mechanics and…

Classical Physics · Physics 2026-01-27 Bjoern Malte Schaefer

3D image processing constitutes nowadays a challenging topic in many scientific fields such as medicine, computational physics and informatics. Therefore, development of suitable tools that guaranty a best treatment is a necessity.…

Numerical Analysis · Computer Science 2018-05-22 Malika Jallouli , Wafa Bel Hadj Khalifa , Anouar Ben Mabrouk , Mohamed Ali Mahjoub

In this paper, we compare two optimization algorithms using full Hessian and approximation Hessian to obtain numerical spherical designs through their variational characterization. Based on the obtained spherical design point sets, we…

Numerical Analysis · Mathematics 2024-01-03 Yuchen Xiao , Xiaosheng Zhuang

The mathematical representations of data in the Spherical Harmonic (SH) domain has recently regained increasing interest in the machine learning community. This technical report gives an in-depth introduction to the theoretical foundation…

Machine Learning · Computer Science 2023-07-10 Janis Keuper

We demonstrate a fast spin-s spherical harmonic transform algorithm, which is flexible and exact for band-limited functions. In contrast to previous work, where spin transforms are computed independently, our algorithm permits the…

Instrumentation and Methods for Astrophysics · Physics 2010-07-22 K. M. Huffenberger , B. D. Wandelt

In this paper, we report on very efficient algorithms for the spherical harmonic transform (SHT). Explicitly vectorized variations of the algorithm based on the Gauss-Legendre quadrature are discussed and implemented in the SHTns library…

Computational Physics · Physics 2015-01-08 Nathanaël Schaeffer

The derivation of spherical harmonics is the same in nearly every quantum mechanics textbook and classroom. It is found to be difficult to follow, hard to understand, and challenging to reproduce by most students. In this work, we show how…

Quantum Physics · Physics 2018-09-28 M. Weitzman , J. K. Freericks

Variables adapted to the quantum dynamics of spherically symmetric models are introduced, which further simplify the spherically symmetric volume operator and allow an explicit computation of all matrix elements of the Euclidean and…

General Relativity and Quantum Cosmology · Physics 2007-05-23 Martin Bojowald , Rafal Swiderski

We present two open-source (BSD) implementations of ellipsoidal harmonic expansions for solving problems of potential theory using separation of variables. Ellipsoidal harmonics are used surprisingly infrequently, considering their…

Computational Engineering, Finance, and Science · Computer Science 2015-06-04 Jaydeep P. Bardhan , Matthew G. Knepley

Libpsht (or "library for Performant Spherical Harmonic Transforms") is a collection of algorithms for efficient conversion between spatial-domain and spectral-domain representations of data defined on the sphere. The package supports…

Instrumentation and Methods for Astrophysics · Physics 2011-01-11 Martin Reinecke

Computing spherical harmonic decompositions is a ubiquitous technique that arises in a wide variety of disciplines and a large number of scientific codes. Because spherical harmonics are defined by integrals over spheres, however, one must…

General Relativity and Quantum Cosmology · Physics 2015-06-25 David R. Fiske

We present effective methods to compute equivariant harmonic maps from the universal cover of a surface into a nonpositively curved space. By discretizing the theory appropriately, we show that the energy functional is strongly convex and…

Geometric Topology · Mathematics 2020-01-22 Jonah Gaster , Brice Loustau , Léonard Monsaingeon

We develop an efficient numerical method for calculating the image stress field induced by spherical voids in materials. The method is applied to dislocation-void interactions in dislocation dynamics simulations. We obtain a complete set of…

Computational Physics · Physics 2019-02-14 Yifan Wang , Xiaohan Zhang , Wei Cai

We introduce a fast, high-precision algorithm for calculating intersections between great circle arcs and lines of constant latitude on the unit sphere. We first propose a simplified intersection point formula with improved speed and…

Numerical Analysis · Mathematics 2025-10-14 Hongyu Chen , Paul A. Ullrich , Julian Panetta
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