Rapid filtration algorithm to construct a minimal basis on the fly from a primitive Gaussian basis (Q536914)
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English | Rapid filtration algorithm to construct a minimal basis on the fly from a primitive Gaussian basis |
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Rapid filtration algorithm to construct a minimal basis on the fly from a primitive Gaussian basis (English)
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31 May 2011
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Gaussian orbitals
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filtration
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diagonalisation
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rational approximation
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