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Using tensor hypercontraction density fitting to achieve an O(L^4) CISD algorithm

Published 13 Sep 2012 in physics.chem-ph | (1209.2935v1)

Abstract: Recently, Hohenstein et al[1] introduced tensor hypercontraction density fitting to decompose the rank-4 electron repulsion integral tensor as the product of five rank-2 tensors. In this paper, we use this methodology to construct an algorithm which calculates the approximate ground state energy in O(L4) operations. We test our method using several small molecules and show that we quickly approach the CISD limit with a small number of auxiliary functions.

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