• Title of article

    Accurate electron-pair, momentum-space properties for the helium atom

  • Author/Authors

    Thakkar، نويسنده , , Ajit J.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    6
  • From page
    80
  • To page
    85
  • Abstract
    An explicitly correlated wave function, expanded in a basis set of 100 Gaussian geminals, is fully optimized for the ground state of the helium atom. The wave function is used to obtain a systematic set of intracular and extracular electron-pair properties in both position- and momentum-spaces. Comparison of the position-space properties with nearly exact values obtained from Hylleraas-type wave functions shows that the Gaussian geminal values are rather accurate. This lends credence to our claim that the momentum-space properties reported here are essentially definitive. Comparison is made with recent results obtained from multi-configuration Hartree-Fock calculations, and from Monte Carlo computations.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2003
  • Journal title
    Chemical Physics Letters
  • Record number

    1784064