@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 = "27 abr. 2024"
}