Unconstrained energy functionals for electronic structure calculations (Q1284561)
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scientific article; zbMATH DE number 1278958
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| default for all languages | No label defined |
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| English | Unconstrained energy functionals for electronic structure calculations |
scientific article; zbMATH DE number 1278958 |
Statements
Unconstrained energy functionals for electronic structure calculations (English)
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28 October 1999
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electronic structure
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density functional theory
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energy functional
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conjugate gradients
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convergence
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Schrödinger equation
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quantum-mechanical system
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numerical example
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diamond crystal
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0.7773213982582092
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0.7735937237739563
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0.738755464553833
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0.7269976735115051
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