Title of article
Electron-pair densities of singly charged atoms
Author/Authors
Matsuyama، نويسنده , , Hisashi and Koga، نويسنده , , Toshikatsu، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
8
From page
515
To page
522
Abstract
For the singly charged 53 cations from Li+ to Cs+ and 43 anions from H− to I− in their ground states, spherically averaged electron-pair intracule (relative-motion) density h(u), extracule (center-of-mass-motion) density d(R), and their moments 〈un〉 and 〈Rn〉 are examined, where u and R are the interelectronic distance and the center-of-mass radius of a pair of electrons, respectively. The intracule and extracule densities of all the 96 ions are found to be monotonically decreasing functions, as for neutral atoms. Approximate relations d(R)≅8h(2R) and 〈un〉/〈Rn〉≅2n are confirmed to be valid for the charged atoms as well.
Journal title
Chemical Physics Letters
Serial Year
1999
Journal title
Chemical Physics Letters
Record number
1776779
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