Efficient spectral-element methods for the electronic Schrödinger equation

DOI10.1007/978-3-319-28262-6_11MaRDI QIDQ2808027zbMATH OpenOpenAlexFDO

Authors Jie Shen, Yingwei Wang, Haijun Yu

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

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)

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Cites work

• scientific article; zbMATH DE number 3792601 (Why is no real title available?)
• scientific article; zbMATH DE number 919110 (Why is no real title available?)
• A new fast Chebyshev-Fourier algorithm for Poisson-type equations in polar geometries
• Approximations by orthonormal mapped Chebyshev functions for higher-dimensional problems in unbounded domains
• Efficient Spectral-Galerkin Method I. Direct Solvers of Second- and Fourth-Order Equations Using Legendre Polynomials
• Efficient Spectral-Galerkin Method II. Direct Solvers of Second- and Fourth-Order Equations Using Chebyshev Polynomials
• Efficient spectral sparse grid methods and applications to high-dimensional elliptic equations II. Unbounded domains
• Efficient spectral sparse grid methods and applications to high-dimensional elliptic problems
• Finite difference approach for the two-dimensional Schrödinger equation with application to scission-neutron emission
• Numerical methods for electronic structure calculations of materials
• Sparse grid spaces for the numerical solution of the electronic Schrödinger equation
• Sparse grids
• Sparse grids for the Schrödinger equation
• Sparse spectral approximations of high-dimensional problems based on hyperbolic cross
• Spectral Methods
• Spectral and pseudospectral approximations using Hermite functions: Application to the Dirac equation
• The Hermite Spectral Method for Gaussian-Type Functions
• The hyperbolic cross space approximation of electronic wavefunctions

Cited in

(11)

• The spectral Ewald method for singly periodic domains
• An alternating direction implicit Legendre spectral element method for the Schrödinger equation
• A Fast Matrix-free Algorithm for Spectral Approximations to the Schrödinger Equation
• A general spectral method for the numerical simulation of one-dimensional interacting fermions
• Better approximations of high dimensional smooth functions by deep neural networks with rectified power units
• Solution of the Schrödinger equation for quasi-one-dimensional materials using helical waves
• A mortar spectral element method for full-potential electronic structure calculations
• 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
• Orbital-enriched flat-top partition of unity method for the Schrödinger eigenproblem
• Efficient methods for computing integrals in electronic structure calculations

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