• Title of article

    Is the Lamb shift chemically significant?

  • Author/Authors

    Dyall، نويسنده , , Kenneth G and Bauschlicher Jr.، نويسنده , , Charles W and Schwenke، نويسنده , , David W and Pyykkِ، نويسنده , , Pekka، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2001
  • Pages
    4
  • From page
    497
  • To page
    500
  • Abstract
    The contribution of the Lamb shift to the atomization energies of some prototype molecules, BF3, AlF3, and GaF3 is estimated by a perturbation procedure. It is found to be in the range 3–5% of the one-electron scalar relativistic contribution to the atomization energy. The maximum absolute value is 0.2 kcal/mol for GaF3. These sample calculations indicate that the Lamb shift is probably small enough to be neglected for energetics of molecules containing light atoms if the target accuracy is 1 kcal/mol, but for higher accuracy calculations and for molecules containing heavy elements it must be considered.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2001
  • Journal title
    Chemical Physics Letters
  • Record number

    1778461