Error bars and quadratically convergent methods for the numerical simulation of the Hartree-Fock equations
DOI10.1007/S002110100358zbMATH Open1027.81043OpenAlexW1964580080MaRDI QIDQ1402136FDOQ1402136
Publication date: 21 August 2003
Published in: Numerische Mathematik (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s002110100358
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Cites Work
- Solutions of Hartree-Fock equations for Coulomb systems
- A‐posteriori error estimates for the finite element method
- A Posteriori Error Estimation for Hierarchic Models of Elliptic Boundary Value Problems on Thin Domains
- A Posteriori Error Estimates for Nonlinear Problems. Finite Element Discretizations of Elliptic Equations
- A general formulation for a posteriori bounds for output functionals of partial differential equations; application to the eigenvalue problem
- Consistency, stability, a priori and a posteriori errors for Petrov- Galerkin methods applied to nonlinear problems
- A posteriori finite element bounds for linear-functional outputs of elliptic partial differential equations
- A hierarchical duality approach to bounds for the outputs of partial differential equations
- Asymptotic a posteriori finite element bounds for the outputs of noncoercive problems: The Helmholtz and Burgers equations
- On the convergence of SCF algorithms for the Hartree-Fock equations
- Local and pollution error estimation for finite element approximations of elliptic boundary value problems
- Title not available (Why is that?)
- NUMERICAL ANALYSIS OF A POSTERIORI FINITE ELEMENT BOUNDS FOR LINEAR FUNCTIONAL OUTPUTS
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- Hamiltonian identification for quantum systems: well-posedness and numerical approaches
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- On discrete ground states of rotating Bose-Einstein condensates
- On the convergence of SCF algorithms for the Hartree-Fock equations
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- Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations
- An overview of \textit{a posteriori} error estimation and post-processing methods for nonlinear eigenvalue problems
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
- The \(HD\) and \(H\bar D\) methods for accelerating the convergence of three-center nuclear attraction and four-center two-electron Coulomb integrals over \(B\) functions and their convergence properties
- Numerical analysis of finite dimensional approximations of Kohn-Sham models
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