Efficient spectral-element methods for the electronic Schrödinger equation

DOI10.1007/978-3-319-28262-6_11zbMATH Open1339.65100OpenAlexW2418133973MaRDI QIDQ2808027FDOQ2808027

Yingwei Wang, Haijun Yu, Jie Shen

Publication date: 26 May 2016

Published in: Lecture Notes in Computational Science and Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/978-3-319-28262-6_11

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zbMATH Keywords

Galerkin methodnumerical testHamiltonian operatorCoulomb potentialspectral-element methodSlater determinantSchrödinger equation

Mathematics Subject Classification ID

Linear boundary value problems for ordinary differential equations (34B05) Numerical solution of boundary value problems involving ordinary differential equations (65L10) Finite element, Rayleigh-Ritz, Galerkin and collocation methods for ordinary differential equations (65L60) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) First-order hyperbolic systems (35L40)

Cites Work

• Sparse grids
• Efficient Spectral-Galerkin Method II. Direct Solvers of Second- and Fourth-Order Equations Using Chebyshev Polynomials
• Spectral Methods
• Title not available (Why is that?)
• Efficient Spectral-Galerkin Method I. Direct Solvers of Second- and Fourth-Order Equations Using Legendre Polynomials
• The Hermite Spectral Method for Gaussian-Type Functions
• Sparse Spectral Approximations of High-Dimensional Problems Based on Hyperbolic Cross
• Sparse grids for the Schrödinger equation
• Numerical Methods for Electronic Structure Calculations of Materials
• Efficient Spectral Sparse Grid Methods and Applications to High-Dimensional Elliptic Problems
• Sparse grid spaces for the numerical solution of the electronic Schrödinger equation
• Spectral and pseudospectral approximations using Hermite functions: Application to the Dirac equation
• A new fast Chebyshev-Fourier algorithm for Poisson-type equations in polar geometries
• The hyperbolic cross space approximation of electronic wavefunctions
• Finite difference approach for the two-dimensional Schrödinger equation with application to scission-neutron emission
• Title not available (Why is that?)
• Efficient spectral sparse grid methods and applications to high-dimensional elliptic equations II. Unbounded domains
• Approximations by orthonormal mapped Chebyshev functions for higher-dimensional problems in unbounded domains

Cited In (6)

• The spectral Ewald method for singly periodic domains
• Better Approximations of High Dimensional Smooth Functions by Deep Neural Networks with Rectified Power Units
• A Fast Matrix-free Algorithm for Spectral Approximations to the Schrödinger Equation
• Improved Laguerre spectral methods with less round-off errors and better stability
• An efficient spectral‐Galerkin method based on a dimension reduction scheme for eigenvalue problems of Schrödinger equations
• Efficient methods for computing integrals in electronic structure calculations

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