ISSN:
1432-2234

Keywords:
Key words: Two-electron intracule density
;
Electron-pair distance
;
Atomic subshell radius
;
Position space
;
Momentum space

Source:
Springer Online Journal Archives 1860-2000

Topics:
Chemistry and Pharmacology

Notes:
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.

Type of Medium:
Electronic Resource

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