相关论文: SHarmonic: A fast and accurate implementation of s…

A numerical method to build an orthonormal basis of properly symmetrized hyperspherical harmonic functions is developed. As a part of it, refined algorithms for calculating the transformation coefficients between hyperspherical harmonics…

Spherical harmonics (SH) have been extensively used as a basis for analyzing the morphology of particles in granular mechanics. The use of SH is facilitated by mapping the particle coordinates onto a unit sphere, in practice often a…

The exact solution of the Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem for the field of atomic and molecular physics since inception. Recently, breakthroughs have been made in the…

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…

Recent work by McClarren & Hauck [29] suggests that the filtered spherical harmonics method represents an efficient, robust, and accurate method for radiation transport, at least in the two-dimensional (2D) case. We extend their work to the…

Order parameters based on spherical harmonics and Fourier coefficients already play a significant role in condensed matter research in the context of systems of spherical or point particles. Here, we extend these types of order parameter to…

In computer science, transforming spherical coordinates into Cartesian coordinates is an important mathematical operation. The CORDIC (Coordinate Rotation Digital Computer) iterative algorithm can perform this operation, as well as…

This paper presents theoretical analysis and software implementation for real harmonics analysis on the special orthogonal group. Noncommutative harmonic analysis for complex-valued functions on the special orthogonal group has been studied…

We accelerate the computation of spherical harmonic transforms, using what is known as the butterfly scheme. This provides a convenient alternative to the approach taken in the second paper from this series on "Fast algorithms for spherical…

Photonic computing offers a low-power, high-bandwidth paradigm for information processing; however, the analogue nature of conventional architectures means that intrinsic noise and fabrication imperfections greatly impact performance,…

In this paper we propose constellations with suitable structure which allow one to construct codes with excellent diversity using geometrical symmetry and numerical methods. We also demonstrate how these structured constellations…

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…

In many applications data are measured or defined on a spherical manifold; spherical harmonic transforms are then required to access the frequency content of the data. We derive algorithms to perform forward and inverse spin spherical…

Spherical Harmonic Gaussian type orbitals and Slater functions can be expressed using spherical coordinates or a linear combinations of the appropriate Cartesian functions. General expressions for the transformation coefficients between the…

We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…

The well-known spatial integration schemes in molecular electronic structure theory, immune to cusps and point singularities of some kind at atomic positions, use a set of weighting functions to split the integrand into a sum of…

We discuss our new implementation of the Real-space Electronic Structure method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version which…

We present libsharp, a code library for spherical harmonic transforms (SHTs), which evolved from the libpsht library, addressing several of its shortcomings, such as adding MPI support for distributed memory systems and SHTs of fields with…

We show here that the Hamiltonian for an electronic system may be written exactly in terms of fluctuation operators that transition constituent fragments between internally correlated states, accounting rigorously for inter-fragment…

It is commonplace in cosmology to analyze fields projected onto the celestial sphere, and in particular density fields that are defined by a set of points e.g. galaxies. When performing an harmonic-space analysis of such data (e.g. an…