Direct Inversion in the Iterative Subspace (Diis) Optimization of Open-Shell, Excited-State, and Small Multiconfiguration Scf Wave-Functions
by Hamilton, T. P.; Pulay, P.
- Journal
- Journal of Chemical Physics
- Volume
- 84
- Issue
- 10
- Year
- 1986
- Start Page
- 5728-5734
- URL
- https://dx.doi.org/10.1063/1.449880
- ISBN/ISSN
- 1089-7690; 0021-9606
- DOI
- 10.1063/1.449880