Fechar
Metadados

@Article{AlbernazBarr:2016:HyCoPo,
               author = "Albernaz, A. F. and Barreto, Patr{\'{\i}}cia Regina Pereira",
          affiliation = "{Universidade de Bras{\'{\i}}lia (UNB)} and {Instituto Nacional 
                         de Pesquisas Espaciais (INPE)}",
                title = "Hyperspherical coordinate potential energy surface for the He3 
                         complex",
              journal = "Revista Virtual de Qu{\'{\i}}mica",
                 year = "2016",
               volume = "8",
               number = "2",
                pages = "338--355",
             keywords = "He3 complex, Hyperspherical coordinate, Potential energy surface, 
                         Van der Waals complex.",
             abstract = "In this work, we show a new Potential Energy Surface (PES) for the 
                         He3 complex. The PES was obtained using hyperspherical 
                         coordinates. The potential employed has a well defined and very 
                         simple analytical form. The radial dependence was obtained by 
                         considering three {"}leading{"} configurations whose energies, 
                         computed at CCSD(T) and MRCI levels and six different basis sets 
                         (aug-cc-pVXZ (X=D, T, Q,5,6) and d-aug-cc-pVQZ), were fitted by a 
                         Rydberg function.",
                  doi = "10.5935/1984-6835.20160025",
                  url = "http://dx.doi.org/10.5935/1984-6835.20160025",
                 issn = "1984-6835",
             language = "en",
           targetfile = "albernaz_hyperspectral.pdf",
        urlaccessdate = "28 nov. 2020"
}


Fechar