Efficient CPU and GPU implementations of multicenter integrals over long-range operators using cartesian Gaussian functions (Q6043063)
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scientific article; zbMATH DE number 7682143
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| English | Efficient CPU and GPU implementations of multicenter integrals over long-range operators using cartesian Gaussian functions |
scientific article; zbMATH DE number 7682143 |
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Efficient CPU and GPU implementations of multicenter integrals over long-range operators using cartesian Gaussian functions (English)
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4 May 2023
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polarization integrals
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polarizable embedding
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Gaussian basis sets
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core polarization potentials
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one-electron integrals
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long-range interaction
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multipole expansion
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0.7352418303489685
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0.7152684330940247
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