\texttt{LIBERI}: Library for numerical evaluation of electron-repulsion integrals (Q547053): Difference between revisions
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| Property / DOI: 10.1016/j.cpc.2010.03.019 / rank | |||
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| Property / cites work: Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system / rank | |||
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| Property / cites work: Q3235302 / rank | |||
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| Property / cites work: Q5340836 / rank | |||
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| Property / cites work: Numerical Fourier and Bessel transforms in logarithmic variables / rank | |||
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| Property / cites work: Fast spherical Bessel transform via fast Fourier transform and recurrence formula / rank | |||
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| Property / DOI: 10.1016/J.CPC.2010.03.019 / rank | |||
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Latest revision as of 21:06, 9 December 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | \texttt{LIBERI}: Library for numerical evaluation of electron-repulsion integrals |
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\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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