• Title of article

    Convergence of variational calculations of the ground-state energy of HF dimer

  • Author/Authors

    Volobuev، نويسنده , , Yuri and Necoechea، نويسنده , , William C and Truhlar، نويسنده , , Donald G، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    4
  • From page
    471
  • To page
    474
  • Abstract
    We report large-scale quantum mechanical calculations for the ground-state energy E0 of the HF dimer on the SQSBDE potential energy surface of Quack and Suhm to compare with the recent calculations of Mladenovic and Lewerenz, who recently reported significantly lower energies than all previously published results. We confirm their results within 0.01 cm−1 with bases of 21 824–29 541 functions built on asymptotic HF monomer vibrational eigenfunctions.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2000
  • Journal title
    Chemical Physics Letters
  • Record number

    1773837