Title of article
Angular dependence of the two-electron intex distribution
Author/Authors
Proud، نويسنده , , Adam J. and Pearson، نويسنده , , Jason K.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2012
Pages
7
From page
118
To page
124
Abstract
The probability density for the angle between the intracular (u) and extracular (R) coordinate vectors using both Hartree–Fock (HF) and explicitly correlated Kinoshita wave functions is presented. This angular density, A ( θ Ru ) , and the angular-dependent intex density, X ( R , u , θ Ru ) , are explored for the helium isoelectronic series from He to Ne8+ to study how electron pairs are distributed in atomic systems (both HF and exact). We demonstrate that the most probable angle depends significantly on the scalar values of R and u for both the HF and exact treatments. As R and u increase, the favoured angle for these densities approach 0 and π .
Journal title
Chemical Physics Letters
Serial Year
2012
Journal title
Chemical Physics Letters
Record number
1932442
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