Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 127, Issue 11, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2777146
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We propose Cholesky decomposition (CD) of the atomic two-electron integral matrix as a robust and general technique for generating auxiliary basis sets for the density fitting approximation. The atomic CD (aCD) auxiliary basis set is calculated on the fly and is not biased toward a particular quantum chemical method. Moreover, the accuracy of the aCD basis set can be controlled with a single parameter. (c) 2007 American Institute of Physics.
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