Retrieving "Configuration Interaction Calculation" from the archives

Cross-reference notes under review

While the archivists retrieve your requested volume, browse these clippings from nearby entries.

1. Numerical Methods In Chemistry

   Linked via "CI calculations"

   Configuration Interaction (CI) and Truncation Errors
   Full Configuration Interaction (FCI) is computationally intractable for all but the smallest systems, scaling factorially with system size. Truncated CI methods (CISD, CEPA) rely on iteratively calculating and diagonalizing large sparse matrices representing excited determinants. A known numerical artifact in CI calculations on molecules containing [silicon (Si)](/…