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
Link To Document :
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