Numerical analysis of finite dimensional approximations of Kohn-Sham models
DOI10.1007/s10444-011-9235-yzbMath1278.35225arXiv1108.1891OpenAlexW2018566483MaRDI QIDQ1946518
Huajie Chen, Lianhua He, Zhang Yang, Xin-Gao Gong, Aihui Zhou
Publication date: 15 April 2013
Published in: Advances in Computational Mathematics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1108.1891
Error bounds for boundary value problems involving PDEs (65N15) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) NLS equations (nonlinear Schrödinger equations) (35Q55) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)
Related Items
Cites Work
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Numerical analysis of nonlinear eigenvalue problems
- Finite element approximations of nonlinear eigenvalue problems in quantum physics
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- Existence of minimizers for Kohn-Sham models in quantum chemistry
- Error bars and quadratically convergent methods for the numerical simulation of the Hartree-Fock equations
- Handbook of Numerical Analysis X. Special volume: Computational chemistry.
- Schrödinger operators in the twentieth century
- Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models
- Finite Volume Discretizations for Eigenvalue Problems with Applications to Electronic Structure Calculations
- EXISTENCE AND CONVERGENCE RESULTS FOR THE GALERKIN APPROXIMATION OF AN ELECTRONIC DENSITY FUNCTIONAL
- Multi-Level Adaptive Corrections in Finite Dimensional Approximations
- Analysis of finite dimensional approximations to a class of partial differential equations
- On the eigenfunctions of many-particle systems in quantum mechanics
- Finite dimensional approximations for the electronic ground state solution of a molecular system
- Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure
- Numerical approximations of a nonlinear eigenvalue problem and applications to a density functional model
- The Geometry of Algorithms with Orthogonality Constraints
- An analysis of finite-dimensional approximations for the ground state solution of Bose–Einstein condensates
- Numerical Methods for Electronic Structure Calculations of Materials
- Phaseless Imaging by Reverse Time Migration: Acoustic Waves
- Electronic Structure
- Electron wavefunctions and densities for atoms