\texttt{Dftatom}: a robust and general Schrödinger and Dirac solver for atomic structure calculations (Q2446015)
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scientific article; zbMATH DE number 6285091
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| English | \texttt{Dftatom}: a robust and general Schrödinger and Dirac solver for atomic structure calculations |
scientific article; zbMATH DE number 6285091 |
Statements
\texttt{Dftatom}: a robust and general Schrödinger and Dirac solver for atomic structure calculations (English)
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15 April 2014
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atomic structure
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electronic structure
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Schrödinger equation
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Dirac equation
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Kohn-Sham equations
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density functional theory
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shooting method
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Fortran 95
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0.757120668888092
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0.7502686381340027
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0.7431806325912476
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0.7414608597755432
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