Adaptive Regularized Self-Consistent Field Iteration with Exact Hessian for Electronic Structure Calculation (Q2847714)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Adaptive Regularized Self-Consistent Field Iteration with Exact Hessian for Electronic Structure Calculation |
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Adaptive Regularized Self-Consistent Field Iteration with Exact Hessian for Electronic Structure Calculation (English)
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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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