Q. Are there sample inputs for the SAC-CI calculations?

 

A. Yes, users can refer to sample inputs $g03root/g03/tests/com/test631.com ~ test675.com, test689.com. These inputs show typical scientific problems.

  Single point calculations for the excited, ionized, electron-attached, and high-spin states: test631~ test636

  Free Base Porphin: test637

  Geometry optimization: test638, test639

  Use of LMO (Localized Molecular Orbital): test642

  GSUM (Group SUM of the excitation operators): test644

  General-R method: test646, test647, test667