Abstract
The generalized Sturmian method is applied to autoionizing states
of atoms and ions. If the Goscinskian basis sets allow for a sufficient
amount of angular correletion, the calculated energies of doubly-excited
(autoionizing) states are found to agree well with the few available
experimental energies. A large-Z approximation is discussed, and simple
formulas are derived which are valid not only for autoionizing states,
but for all states of an isoelectronic atomic series. Diagonalization
of a small block of the interelectron repulsion matrix yields roots
that can be used for a wide range of Z values.
of atoms and ions. If the Goscinskian basis sets allow for a sufficient
amount of angular correletion, the calculated energies of doubly-excited
(autoionizing) states are found to agree well with the few available
experimental energies. A large-Z approximation is discussed, and simple
formulas are derived which are valid not only for autoionizing states,
but for all states of an isoelectronic atomic series. Diagonalization
of a small block of the interelectron repulsion matrix yields roots
that can be used for a wide range of Z values.
| Original language | English |
|---|---|
| Title of host publication | Advances in quantum chemistry |
| Editors | John R. Sabin, Errki J. Brändas |
| Number of pages | 17 |
| Publisher | Academic Press |
| Publication date | 2005 |
| Pages | 103-119 |
| ISBN (Print) | 978-0-12-034849-7 |
| DOIs | |
| Publication status | Published - 2005 |
| Series | Advances in Quantum Chemistry |
|---|---|
| Volume | 49 |
| ISSN | 0065-3276 |