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The orbital-specific-virtual local coupled cluster singles and doubles method

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DOI to cite this document:
Yang, Jun ; Chan, Garnet Kin-Lic ; Manby, Frederick R. ; Schütz, Martin ; Werner, Hans-Joachim
License: Allianz- bzw. Nationallizenz
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Date of publication of this fulltext: 23 Oct 2012 06:33


We extend the orbital-specific-virtual tensor factorization, introduced for local Møller-Plesset perturbation theory in Ref. [J. Yang, Y. Kurashige, F. R. Manby and G. K. L. Chan, J. Chem. Phys. 134, 044123 (2011)10.1063/1.3528935], to local coupled cluster singles and doubles theory (OSV-LCCSD). The method is implemented by modifying an efficient projected-atomic-orbital local coupled cluster ...


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