Q. Learning the SAC-CI method: methodology and computations.

 

A. We first recommend looking at SAC-CI guide which is available via the web site

http://www.sbchem.kyoto-u.ac.jp/nakatsuji-lab

  To start SAC-CI calculation, it is recommended to start with test631.com, in which one can compare the SAC-CI and full-CI results for the excited, ionized, and electron-attached states of H₂O with double-zeta basis.