Orbital relaxation in the Rydberg series of the He atom

✍ Scribed by T. C. Chang; Chien Hua Pao; Chen-Shiung Hsue

• Publisher: John Wiley and Sons
• Year: 1985
• Tongue: English
• Weight: 408 KB
• Volume: 6
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/jcc.540060404

✦ Synopsis

The orbital behavior of both the singlet and triplet Rydberg series for lsns configurations of the He atom has been investigated using one-and two-configuration Hartree-Fock wave functions. The core orbital within the triplet series changes negligibly; however, a contract trend is noticeable as the Rydberg orbital penetrates more into the core region, which is in contrast to that found in the Is2-'S Rydberg series of Li atom. Although some properties of the whole atom can be calculated, the core relaxation of the singlet series can not be drawn without ambiguity because a two-configuration correlated wave function has to be used, and thus the orbital picture is lost.