\texttt{LIBERI}: Library for numerical evaluation of electron-repulsion integrals (Q547053)
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scientific article; zbMATH DE number 5915931
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| English | \texttt{LIBERI}: Library for numerical evaluation of electron-repulsion integrals |
scientific article; zbMATH DE number 5915931 |
Statements
\texttt{LIBERI}: Library for numerical evaluation of electron-repulsion integrals (English)
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30 June 2011
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ab initio calculations
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exchange interactions
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exchange-correlation functionals
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numerical examples
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\texttt{C library}
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four-center electron repulsion integrals
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Fourier transforms
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atomic nuclear positions
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Coulomb interaction
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0.7352418303489685
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0.7309647798538208
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0.7111160755157471
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0.7093237638473511
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