Inexact restoration method for minimization problems arising in electronic structure calculations
DOI10.1007/S10589-010-9318-6zbMATH Open1263.90090OpenAlexW2082134538MaRDI QIDQ409270FDOQ409270
Authors: J. B. Francisco, Leandro Martínez, Feodor Pisnitchenko, J. M. 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
Recommendations
- Inexact restoration approach for minimization with inexact evaluation of the objective function
- Inexact restoration for minimization with inexact evaluation both of the objective function and the constraints
- A conjugate gradient method for electronic structure calculations
- On the employment of inexact restoration for the minimization of functions whose evaluation is subject to errors
- Density-based globally convergent trust-region methods for self-consistent field electronic structure calculations
constrained optimizationnumerical experimentsquadratic convergenceinexact restorationHartree-Fockself-consistent field
Cites Work
- Algorithm 851
- Algorithm 813
- Benchmarking optimization software with performance profiles.
- Title not available (Why is that?)
- Nonmonotone Spectral Projected Gradient Methods on Convex Sets
- A constrained optimization algorithm for total energy minimization in electronic structure calculations
- Molecular simulation and related topics: some open mathematical problems
- An inexact-restoration method for nonlinear bilevel programming problems
- On the Constant Positive Linear Dependence Condition and Its Application to SQP Methods
- Representing the space of linear programs as the Grassmann manifold
- On the relation between constant positive linear dependence condition and quasinormality constraint qualification
- Inexact-restoration algorithm for constrained optimization
- A Globally Convergent Filter Method for Nonlinear Programming
- Inexact-restoration method with Lagrangian tangent decrease and new merit function for nonlinear programming.
- Multilevel domain decomposition for electronic structure calculations
- A new line search inexact restoration approach for nonlinear programming
- Euler discretization and inexact restoration for optimal control
- A practical optimality condition without constraint qualifications for nonlinear programming
- Inexact spectral projected gradient methods on convex sets
- Title not available (Why is that?)
- Local convergence of an inexact-restoration method and numerical experiments
- A numerical study on large-scale nonlinear solvers
- Mathematical methods in quantum chemistry. An introduction
- Some Recent Advances in Density Matrix Theory
- Computational chemistry from the perspective of numerical analysis
- Solution point differentiability without strict complementarity in nonlinear programming
- Density-based globally convergent trust-region methods for self-consistent field electronic structure calculations
Cited In (14)
- Inexact restoration for Euler discretization of box-constrained optimal control problems
- Nonmonotone inexact restoration approach for minimization with orthogonality constraints
- Inexact restoration approach for minimization with inexact evaluation of the objective function
- Sequential equality-constrained optimization for nonlinear programming
- Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure
- Inexact restoration for minimization with inexact evaluation both of the objective function and the constraints
- Improving the global convergence of inexact restoration methods for constrained optimization problems
- A feasible method for optimization with orthogonality constraints
- Assessing the reliability of general-purpose inexact restoration methods
- Nonconvex and nonsmooth optimization with generalized orthogonality constraints: an approximate augmented Lagrangian method
- On the complexity of an inexact restoration method for constrained optimization
- A flexible inexact-restoration method for constrained optimization
- Inexact restoration for derivative-free expensive function minimization and applications
- Non-monotone inexact restoration method for nonlinear programming
Uses Software
This page was built for publication: Inexact restoration method for minimization problems arising in electronic structure calculations
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q409270)