## Abstract

The generalized Sturmian method for atomic and

molecular electronic structure calculations is a direct configuration

interaction method in which the configurations are chosen to be

isoenergetic solutions of an approximate N-electron Schr

equation with a weighted potential, $\beta_\nu V_0$. The weighting

factors $\beta_\nu$ are especially chosen so that all the

configurations in the basis set correspond to the same energy

regardless of their quantum numbers. In this paper, the generalized

Sturmian method is used to calculate excited states, densities,

polarizabilities, and natural orbitals of few-electron atoms and ions.

molecular electronic structure calculations is a direct configuration

interaction method in which the configurations are chosen to be

isoenergetic solutions of an approximate N-electron Schr

**ö**dingerequation with a weighted potential, $\beta_\nu V_0$. The weighting

factors $\beta_\nu$ are especially chosen so that all the

configurations in the basis set correspond to the same energy

regardless of their quantum numbers. In this paper, the generalized

Sturmian method is used to calculate excited states, densities,

polarizabilities, and natural orbitals of few-electron atoms and ions.

Original language | English |
---|---|

Book series | Advances in Quantum Chemistry |

Volume | 47 |

Pages (from-to) | 157-176 |

ISSN | 0065-3276 |

Publication status | Published - 2004 |

## Keywords

- Faculty of Science
- Sturmian bases
- generalized Sturmian method
- atomic spectra
- electron density
- polarizability
- natural orbitals
- configuration interaction
- Sturmians