C. Gerald Knizia: Wrote first 15kloc of the program, including the code for integrals, HF, CEPA and support functions. Also responsible for this homepage and coordination.

External Code

These people are not affiliated with CT8K, but open source code of them (for other projects) has been used in here.
Edward F. Valeev, Justin T. Fermann: Authors of Libint, a program library which implements recurrence relations required to calculate two-electron integrals in a efficient manner. Without Libint, building CT8K would not have been possible.
Curtis Janssen Used his code for the evaluation of the Boys function from MPQC. Used to calculate one- and two-electron Coulomb integrals.


Of course, apart from the direct contributions to the program also results of many researchers were used. The most important books/papers which were essential in building this code are:

  • A. Szabo, N. S. Ostlund: "Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory" (McGraw-Hill, New York, 1989)
  • T. Helgaker, P. Jørgensen, J. Olsen: "Molecular Electronic-Structure Theory" (Wiley, Chichester, 2000)
  • P. Knowles, M. Schütz, H.-J. Werner: "Ab Initio Methods for Electron Correlation in Molecules" (in J. Grotendorst (ed.) "Modern Methods and Algorithms of Quantum Chemistry, Proceedings" 2nd ed., 2000, John von Neumann Institute for Computing, Jülich). (Note: This text is also freely aviable on the net).
  • C. Hampel, K. A. Peterson, H.-J. Werner: "A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods", Chem. Phys. Lett. 190, 1, 1992;
I thank these people for spending their time on the production of these important results or providing convenient access to them (by condensing results into well written articles or monographs).