The Generalized Sturmian Method for Calculating Spectra of Atoms and Ions

摘要: The properties of generalized Sturmian basis sets are reviewed, and functions this type used to perform direct configuration interaction calculations on the spectra atoms ions. Singlet excited states calculated in way show good agreement with experimentally measured spectra. When method is applied atoms, configurations constructed from hydrogenlike atomic orbitals an effective charge which characteristic configuration. Thus, orthonormality between different cannot be assumed, Slater–Condon rules must used. This aspect problem discussed detail. Finally presence a strong external electric field. In addition expected Stark effect, exhibit anomalous states. These shown where one electrons primarily outside atom or ion, only small amplitude inside.