The transformation of occupied and excited SCF orbitals expressed in Cartesian Gaussian form to a smaller, simpler set of floating spherical Gaussians is described. Illustrative applications at the correlated coupled-cluster level are presented for Lill and H2O.
|Original language||English (US)|
|Number of pages||4|
|Journal||Chemical Physics Letters|
|State||Published - Oct 5 1984|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry