2nd and 3rd Derivatives of Variational Energy Expressions - Application to Multiconfigurational Self-Consistent Field Wave-Functions.
by Pulay, P.
- Journal
- Journal of Chemical Physics
- Volume
- 78
- Issue
- 8
- Year
- 1983
- Start Page
- 5043-5051
- URL
- https://dx.doi.org/10.1063/1.445372
- ISBN/ISSN
- 1089-7690; 0021-9606
- DOI
- 10.1063/1.445372