smith1/README at master · qsimulate-open/smith1 · GitHub

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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."