• DocumentCode
    3387605
  • Title

    Quantum vs Semiclassical Dynamics Approaches from highly symmetric to asymmetric reactions

  • Author

    Lago, Noelia Faginas ; Laganá, A. ; Larrañaga, Fermin Huarte

  • Author_Institution
    Univ. of Perugia, Perugia
  • fYear
    2007
  • fDate
    26-29 Aug. 2007
  • Firstpage
    441
  • Lastpage
    443
  • Abstract
    The theoretical and computational machinery of a code based on the semiclassical initial value representation approach has been revisited to introduce the possibility of dealing with asymmetric systems and using non commercial routines. To validate the code a comparison of the cumulative reaction probability with quantum calculations by considering as a case study the H + H2 prototype reaction has been performed.
  • Keywords
    computational complexity; quantum computing; asymmetric reactions; asymmetric systems; computational machinery; cumulative reaction probability; quantum dynamics; semiclassical dynamics; semiclassical initial value representation; Chemistry; Computer applications; Hydrogen; Machinery; Monte Carlo methods; Probability; Quantum computing; Quantum mechanics; Real time systems; Tellurium;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Computational Science and its Applications, 2007. ICCSA 2007. International Conference on
  • Conference_Location
    Kuala Lampur
  • Print_ISBN
    978-0-7695-2945-5
  • Type

    conf

  • DOI
    10.1109/ICCSA.2007.35
  • Filename
    4301179
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=3387605