Inexact restoration method for minimization problems arising in electronic structure calculations
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Publication:409270
DOI10.1007/s10589-010-9318-6zbMath1263.90090OpenAlexW2082134538MaRDI QIDQ409270
Feodor Pisnitchenko, Juliano B. Francisco, Leandro Martínez, José Mario Martínez
Publication date: 12 April 2012
Published in: Computational Optimization and Applications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10589-010-9318-6
constrained optimizationnumerical experimentsquadratic convergenceself-consistent fieldinexact restorationHartree-Fock
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Cites Work
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- An inexact-restoration method for nonlinear bilevel programming problems
- Representing the space of linear programs as the Grassmann manifold
- Local convergence of an inexact-restoration method and numerical experiments
- Multilevel domain decomposition for electronic structure calculations
- Density-based globally convergent trust-region methods for self-consistent field electronic structure calculations
- A new line search inexact restoration approach for nonlinear programming
- A practical optimality condition without constraint qualifications for nonlinear programming
- On the relation between constant positive linear dependence condition and quasinormality constraint qualification
- A numerical study on large-scale nonlinear solvers
- Inexact-restoration algorithm for constrained optimization
- Euler discretization and inexact restoration for optimal control
- Mathematical methods in quantum chemistry. An introduction
- A constrained optimization algorithm for total energy minimization in electronic structure calculations
- Some Recent Advances in Density Matrix Theory
- Computational chemistry from the perspective of numerical analysis
- Molecular simulation and related topics: some open mathematical problems
- Algorithm 851
- Solution point differentiability without strict complementarity in nonlinear programming
- Inexact spectral projected gradient methods on convex sets
- On the Constant Positive Linear Dependence Condition and Its Application to SQP Methods
- Nonmonotone Spectral Projected Gradient Methods on Convex Sets
- A Globally Convergent Filter Method for Nonlinear Programming
- Algorithm 813
- Benchmarking optimization software with performance profiles.
- Inexact-restoration method with Lagrangian tangent decrease and new merit function for nonlinear programming.
