• Title of article

    Strong chemical bonds in heavy diatomics: PtSi, PtTh and AuTh+

  • Author/Authors

    Barysz، نويسنده , , Maria and Pyykkِ، نويسنده , , Pekka، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    4
  • From page
    538
  • To page
    541
  • Abstract
    Ab initio relativistic calculations are reported for the electronic ground states of the known diatomic species PtSi and PtTh, and the unknown isoelectronic species AuTh+. Relativistic effects are treated at the quasirelativistic Douglas–Kroll level and electron correlation at the CASPT2 or CCSD(T) level.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2003
  • Journal title
    Chemical Physics Letters
  • Record number

    1782723

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1782723