• Title of article

    Two-electron properties for the beryllium atom from explicitly correlated wavefunctions

  • Author/Authors

    G?lvez، نويسنده , , F.J and Buend??a، نويسنده , , E and Sarsa، نويسنده , , A، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    7
  • From page
    330
  • To page
    336
  • Abstract
    Two-body properties of the ground state of beryllium atom in position and momentum spaces are obtained starting from a compact and accurate explicitly correlated wavefunction. The wavefunction is factorized into a correlation factor, depending on the interelectronic distance, and a multi configuration expansion. The variational Monte-Carlo method (VMC) has been used to optimize the trial wavefunction and to compute the different properties. The results are compared with others calculated from large configuration interaction expansions, multi configuration self-consistent field wavefunctions and explicitly correlated gaussian expansions, showing good performance of the results of this work. The use of explicitly correlated wavefunction along with the VMC provides reliable results for complex atomic systems as the beryllium atom.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2003
  • Journal title
    Chemical Physics Letters
  • Record number

    1783207