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Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25788
Abstract: We demonstrate a novel technique to obtain singular‐value decomposition (SVD) of the coupled‐cluster triple excitations amplitudes, tijkabc . The presented method is based on the Golub‐Kahan bidiagonalization strategy and does not require tijkabc to be…
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Keywords:
value decomposition;
cluster triple;
singular value;
coupled cluster ... See more keywords