• Title of article

    Quantum Monte Carlo study of vibrational states of silanone

  • Author/Authors

    Acioli، نويسنده , , Paulo H. and Costa، نويسنده , , L.S. and Prudente، نويسنده , , Frederico V.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    5
  • From page
    121
  • To page
    125
  • Abstract
    We report correlation function quantum Monte Carlo (CFQMC) calculations of the vibrational levels on the silanone potential energy surface developed by Koput and co-workers. We computed the vibrational modes up to 3500 cm−1 and up to the fifth excited vibrational mode. Our results are in agreement with those reported by Koput et al. These results are important to future theoretical and experimental investigation of the H2SiO molecule, as spectroscopic data in this system are scarce.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2000
  • Journal title
    Chemical Physics Letters
  • Record number

    1782096