Inexact restoration method for minimization problems arising in electronic structure calculations

Computational Optimization and Applications

Volumn 50, Issue 3, 2011, Pages 555-590

  Francisco, Juliano B ^a   Martinez J M ^b   Martínez, Leandro ^b   Pisnitchenko, Feodor ^b  

^a FEDERAL UNIVERSITY OF SANTA CATARINA   (Brazil)

^b UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Constrained optimization; Hartree Fock; Inexact restoration; Numerical experiments; Quadratic convergence; Self consistent field

Indexed keywords

HARTREE-FOCK; INEXACT RESTORATION; NUMERICAL EXPERIMENTS; QUADRATIC CONVERGENCE; SELF-CONSISTENT FIELD;

ALGORITHMS; CALCULATIONS; CONSTRAINED OPTIMIZATION; CONVERGENCE OF NUMERICAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; EQUATIONS OF MOTION; EXPERIMENTS; MOLECULAR PHYSICS; RESTORATION;

PROBLEM SOLVING;

EID: 84855350545     PISSN: 09266003     EISSN: 15732894     Source Type: Journal    
DOI: 10.1007/s10589-010-9318-6     Document Type: Conference Paper

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