Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations.
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DOI: 10.1021/acs.jctc.7b00605
Abstract: The representation and storage of two-electron integral tensors are vital in large-scale applications of accurate electronic structure methods. Low-rank representation and efficient storage strategy of integral tensors can significantly reduce the numerical overhead and consequently… read more here.
Keywords: electron integral; integral tensor; two electron; decomposition two ... See more keywords