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Statistical angular correlation coefficients and second electron-pair moments for atoms
Author(s) -
Toshikatsu Koga
Publication year - 2001
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.1405010
Subject(s) - electron , angular momentum , moment (physics) , physics , electron pair , atomic physics , correlation coefficient , motion (physics) , quantum mechanics , mathematics , classical mechanics , statistics
Statistical correlation coefficients τ[f] introduced by Kutzelnigg et al. [Phys. Rev. 172, 49 (1968)] provide overall measures of the difference between the electron-pair density and the product of single-electron densities, where f = f(r) is a probe function. It is shown that the angular correlation coefficient τ[r], a particular case of τ[f] for f(r) = r, is simply expressible in terms of the generalized electron-pair moments 〈q^2〉(a,b) with two real-valued parameters a and b. Especially, the relation for a = b = 1 means that τ[r] is nothing but the difference between the center-of-mass motion and relative motion contributions in the second electron-pair moments. Conversely, the electron-pair moments 〈q^2〉(a,b) are obtained from the single-electron moment 〈{∑_i}{(r_i)^2}〉 and the correlation coefficient τ[r]. The same is also true in momentum space

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