Inner and outer radial density functions in singly-excited 1snl states of the He atom

✍ Scribed by Hisashi Matsuyama; Toshikatsu Koga

• Publisher: Elsevier Science
• Year: 2010
• Tongue: English
• Weight: 693 KB
• Volume: 233
• Category: Article
• ISSN: 0377-0427
• DOI: 10.1016/j.cam.2009.02.089

✦ Synopsis

The one-electron radial density function D(r) has recently been found to be separable into inner D < (r) and outer D > (r) radial density functions. The inner D < (r) and outer D > (r) densities are studied for 28 singly-excited 1snl singlet and triplet states (0 ≤ l < n ≤ 5) of the He atom at a correlated level. Theoretical structures of D < (r) and D > (r) are discussed within the Hartree-Fock framework. Comparison of correlated D < (r) and D > (r) with hydrogenic radial densities based on the modal characteristics and Carbó's similarity index clarifies that D < (r) represents the 1s density of the helium cation, while D > (r) extracts the nl density of the hydrogen atom from D(r). The radial separation |r 1 -r 2 | , which constitutes a lower bound to the standard deviation of D(r), is shown to be estimated from the location of the outermost maximum of D > (r).