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@InProceedings{LombardiPaAqGrAlBaCr:2016:SpHyHa,
               author = "Lombardi, Andrea and Palazzetti, Federico and Aquilanti, Vincenzo 
                         and Grossi, Gaia and Albernaz, Alessandra F. and Barreto, 
                         Patr{\'{\i}}cia Regina Pereira and Cruz, Ana Cl{\'a}udia 
                         Pinheiro da Silva",
          affiliation = "{Universit{\`a} di Perugia} and {Universit{\`a} di Perugia} and 
                         {Universit{\`a} di Perugia} and {Universit{\`a} di Perugia} and 
                         {Universidade de Bras{\'{\i}}lia (UnB)} and {Instituto Nacional 
                         de Pesquisas Espaciais (INPE)} and {Instituto Nacional de 
                         Pesquisas Espaciais (INPE)}",
                title = "Spherical and Hyperspherical Harmonics Representation of van der 
                         Waals Aggregates",
            booktitle = "Proceedings...",
                 year = "2016",
         organization = "International Conference on Computational Methods in Sciences and 
                         Engineering, 12. (ICCMSE)",
             keywords = "potential energy surfaces, intermolecular interactions, 
                         hyperspherical coordinates.",
             abstract = "The representation of the potential energy surfaces of 
                         atom-molecule or molecular dimers interactions should account 
                         faithfully for the symmetry properties of the systems, preserving 
                         at the same time a compact analytical form. To this aim, the 
                         choice of a proper set of coordinates is a necessary precondition. 
                         Here we illustrate a description in terms of hyperspherical 
                         coordinates and the expansion of the intermolecular interaction 
                         energy in terms of hypersherical harmonics, as a general method 
                         for building potential energy surfaces suitable for molecular 
                         dynamics simulations of van der Waals aggregates. Examples for the 
                         prototypical case diatomic-moleculediatomic-molecule interactions 
                         are shown.",
  conference-location = "Athens, Greece",
      conference-year = "17-20 Mar.",
             language = "en",
           targetfile = "lombardi_spherical.pdf",
        urlaccessdate = "29 nov. 2020"
}


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