• Title of article

    Exact results on the curvature of the electron density at the cusp in certain highly excited states of atoms

  • Author/Authors

    Nagy، نويسنده , , ء. and Sen، نويسنده , , K.D.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    5
  • From page
    154
  • To page
    158
  • Abstract
    Exact results on the general higher-order cusp relations involving the second derivative of electron density are derived for atoms and molecules including highly excited states wherein the spherical average of the derivative of the wave function is zero at a nucleus. The curvature of the electron density at the nucleus is found to be a direct measure of the extent of excitation. An expression relating the one-electron eigenvalues to quantities at the cusp and the atomic number is also obtained. Numerical tests on several excited-state atoms are presented.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2000
  • Journal title
    Chemical Physics Letters
  • Record number

    1774168