Abstract
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) |
---|---|
Pages (from-to) | 365-368 |
Number of pages | 4 |
Journal | Chemical Physics Letters |
Volume | 110 |
Issue number | 4 |
DOIs | |
State | Published - Oct 5 1984 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry