A novel tetrahedral spectral element method for Kohn-Sham model (Q2112544)

scientific article; zbMATH DE number 7640578

Language	Label	Description	Also known as
English	A novel tetrahedral spectral element method for Kohn-Sham model	scientific article; zbMATH DE number 7640578

Statements

instance of

scholarly article

0 references

title

A novel tetrahedral spectral element method for Kohn-Sham model (English)

0 references

0 references

0 references

Journal of Computational Physics

0 references

publication date

11 January 2023

0 references

zbMATH Keywords

tetrahedral spectral element method

0 references

\(p\)-multigrid method

0 references

Kohn-Sham equation

0 references

self-consistent field iteration

0 references

imaginary time propagation

0 references

describes a project that uses

0 references

0 references

0 references

full work available at URL

https://doi.org/10.1016/j.jcp.2022.111831

0 references

cites work

An \(h\)-adaptive finite element solver for the calculations of the electronic structures

0 references

Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation

0 references

Gradient type optimization methods for electronic structure calculations

0 references

A Trust Region Direct Constrained Minimization Algorithm for the Kohn–Sham Equation

0 references

Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure

0 references

A Conjugate Gradient Method for Electronic Structure Calculations

0 references

Numerical methods for Kohn–Sham density functional theory

0 references

The many-body Wigner Monte Carlo method for time-dependent ab-initio quantum simulations

0 references

On the simulation of indistinguishable fermions in the many-body Wigner formalism

0 references

On a full Monte Carlo approach to quantum mechanics

0 references

The Wigner function of ground state and one-dimensional numerics

0 references

SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature

0 references

An adaptive FEM with ITP approach for steady Schrödinger equation

0 references

An asymptotics-based adaptive finite element method for Kohn-Sham equation

0 references

Regularity and hp discontinuous Galerkin finite element approximation of linear elliptic eigenvalue problems with singular potentials

0 references

Finite Volume Discretizations for Eigenvalue Problems with Applications to Electronic Structure Calculations

0 references

Q2779357

0 references

A spectral scheme for Kohn-Sham density functional theory of clusters

0 references

Higher-order finite-difference formulation of periodic orbital-free density functional theory

0 references

SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters

0 references

SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems

0 references

Higher-order adaptive finite-element methods for Kohn-Sham density functional theory

0 references

Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods

0 references

DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations

0 references

DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

0 references

An efficient spectral‐Galerkin method based on a dimension reduction scheme for eigenvalue problems of Schrödinger equations

0 references

A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations

0 references

Q5862257

0 references

Sparse spectral-Galerkin method on an arbitrary tetrahedron using generalized Koornwinder polynomials

0 references

On multi-mesh \(H\)-adaptive methods

0 references

Optimal spectral-Galerkin methods using generalized Jacobi polynomials

0 references

Spectral Methods

0 references

Multi-Level Adaptive Solutions to Boundary-Value Problems

0 references

The Mathematical Theory of Finite Element Methods

0 references

A Multigrid Tutorial, Second Edition

0 references

Identifiers

Mathematics Subject Classification ID

0 references

0 references

0 references

0 references

0 references

10.1016/J.JCP.2022.111831

0 references

Sitelinks

Mathematics(1 entry)

mardi Publication:2112544