Atomic electron-pair distances and subshell radii in position and momentum space |
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Authors: | Toshikatsu Koga Hisashi Matsuyama |
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Affiliation: | (1) Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido 050-8585, Japan, JP |
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Abstract: | For the 53 neutral atoms from He to Xe in their ground states, the average distances < u> n l , n ′ l ′ in position space and < v> n l , n ′ l ′ in momentum space between an electron in a subshell nl and another electron in a subshell n ′ l ′ are studied, where n and l are the principal and azimuthal quantum numbers of an atomic subshell, respectively. Analysis of 1700 subshell pairs shows that the electron-pair distances < u> n l , n ′ l ′ in position space have an empirical but very accurate linear correlation with a one-electron quantity U n l , n ′ l ′≡L r +S r 2/(3L r ), where L r and S r are the larger and smaller of subshell radii < r> n l and < r> n ′ l ′, respectively. The correlation coefficients are never smaller than 0.999 for the 66 different combinations of two subshells appearing in the 53 atoms. The same is also true in momentum space, and the electron-pair momentum distances < > n l , n ′ l ′ have an accurate linear correlation with a one-electron momentum quantity V n l , n ′ l ′≡L p +S p 2/(3L p ), where L p and S p are the larger and smaller of average subshell momenta < p> n l and < p> n ′ l ′, respectively. Trends in the proportionality constants between < u> n l , n ′ l ′ and U n l , n ′ l ′ and between < > n l , n ′ l ′ and V n l , n ′ l ′ are discussed based on a hydrogenic model for the subshell radial functions. Received: 8 April 1998 / Accepted: 6 July 1998 / Published online: 18 September 1998 |
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Keywords: | : Two-electron intracule density Electron-pair distance Atomic subshell radius Position space Momentum space |
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