Adaptive regularized self-consistent field iteration with exact Hessian for electronic structure calculation (Q2847714)
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scientific article; zbMATH DE number 6207523
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| English | Adaptive regularized self-consistent field iteration with exact Hessian for electronic structure calculation |
scientific article; zbMATH DE number 6207523 |
Statements
11 September 2013
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density functional theory
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Kohn-Sham total energy minimization
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orthogonality constraints
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regularized SCF
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trust-region methods
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Adaptive regularized self-consistent field iteration with exact Hessian for electronic structure calculation (English)
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0.7761675715446472
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0.773697555065155
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0.7712070941925049
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0.7580364346504211
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0.755916178226471
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