Efficient spectral-element methods for the electronic Schrödinger equation
Galerkin methodnumerical testHamiltonian operatorCoulomb potentialspectral-element methodSlater determinantSchrödinger equation
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)
- An alternating direction implicit Legendre spectral element method for the Schrödinger equation
- An efficient spectral‐Galerkin method based on a dimension reduction scheme for eigenvalue problems of Schrödinger equations
- Efficient spectral methods for some singular eigenvalue problems
- A wavelet based sparse grid method for the electronic Schrödinger equation
- Fully-discrete Galerkin spectral element method for a \(2\)-\(D\) Schrödinger equation
- 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
- Efficient methods for computing integrals in electronic structure calculations
- A Fast Matrix-free Algorithm for Spectral Approximations to the Schrödinger Equation
- An alternating direction implicit Legendre spectral element method for the Schrödinger equation
- Solution of the Schrödinger equation for quasi-one-dimensional materials using helical waves
- Better approximations of high dimensional smooth functions by deep neural networks with rectified power units
- The spectral Ewald method for singly periodic domains
- Orbital-enriched flat-top partition of unity method for the Schrödinger eigenproblem
- Improved Laguerre spectral methods with less round-off errors and better stability
- A mortar spectral element method for full-potential electronic structure calculations
- A general spectral method for the numerical simulation of one-dimensional interacting fermions
- An efficient spectral‐Galerkin method based on a dimension reduction scheme for eigenvalue problems of Schrödinger equations
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