• 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