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Stone-age program for arbitrary-order CC and CC-F12 (2007-2009)
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This stone-age program implements arbitrary-order CC and CC-F12 algorithms. Author: Toru Shiozaki <shiozaki@qsimulate.com> With a contribution from Prof. Muneaki Kamiya Under the guidance of Prof. So Hirata (UF, now at UIUC) Prof. Edward Valeev (Virginia Tech) >> disclaimer << This was written when I did not know that python program can be split into several files (nobody taught me that!). Therefore everything is in one python file. I must admit that (as of July 2013) I do not remember how to use it exactly :-) Relevant references (proof that it once worked): T. Shiozaki, M. Kamiya, S. Hirata, and E. F. Valeev, Physical Chemistry Chemical Physics 10, 3358 (2008), "Equations of explicitly-correlated coupled-cluster methods." T. Shiozaki, M. Kamiya, S. Hirata, and E. F. Valeev, The Journal of Chemical Physics (Comm.) 129, 071101 (2008), "Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations." T. Shiozaki, M. Kamiya, S. Hirata, and E. F. Valeev, The Journal of Chemical Physics 130, 054101 (2009), "Higher-order explicitly correlated coupled-cluster methods." T. Shiozaki, E. F. Valeev, and S. Hirata, The Journal of Chemical Physics 131, 044118 (2009), "Explicitly correlated combined coupled-cluster and perturbation methods." T. Shiozaki, E. F. Valeev, and S. Hirata, Annual Reports in Computational Chemistry, vol. 5, Elsevier 2009, pp. 131, "Explicitly correlated coupled-cluster methods."
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