Including dispersion interactions in the ONETEP program for linear-scaling density functional theory calculations (Q3561864)
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scientific article; zbMATH DE number 5709936
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| English | Including dispersion interactions in the ONETEP program for linear-scaling density functional theory calculations |
scientific article; zbMATH DE number 5709936 |
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Including dispersion interactions in the ONETEP program for linear-scaling density functional theory calculations (English)
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19 May 2010
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dispersion interactions
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linear-scaling density functional theory (DFT)
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\texttt{ONETEP}
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biomolecular simulations
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0.7468230128288269
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0.7077193856239319
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0.637349009513855
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0.6358135342597961
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