Reduced scaling in electronic structure calculations using Cholesky decompositions

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2003
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Abstract
We demonstrate that substantial computational savings are attainable in electronic structure calculations using a Cholesky decomposition of the two-electron integral matrix. In most cases, the computational effort involved calculating the Cholesky decomposition is less than the construction of one Fock matrix using a direct O(N2) procedure.
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KOCH, Henrik ; SÁNCHEZ DE MERÁS, Alfredo ; BONDO PEDERSEN, Thomas. Reduced scaling in electronic structure calculations using Cholesky decompositions. En: Journal of Chemical Physics, 2003, vol. 118, no. 21
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