title: Fluorobenzene-argon ground-state intermolecular potential energy surface.
abstract: The ground-state intermolecular potential energy surface for the fluorobenzene-argon van der Waals complex is evaluated using the coupled-cluster singles and doubles including connected triple excitations model, with the augmented correlation consistent polarized valence double-zeta basis set extended with a set of 3s3p2d1f1g midbond functions. In the surface minima the Ar atom is located above and below the fluorobenzene plane at a distance of 3.562 A from the fluorobenzene center of mass and at an angle of 6.33 degrees with respect to the axis perpendicular to the fluorobenzene plane. The corresponding binding energy is 391.1 cm(-1). Both these results and the eigenvalues obtained from the potential compare well with the experimental data available.
authors.affiliation: Department of Physical Chemistry, Faculty of Chemistry, University of Santiago de Compostela, E-15782 Santiago de Compostela, Spain.
authors.forename: José Luis Cagide
authors.initials: JL
authors.lastname: Fajín
authors.forename: Javier
authors.initials: J
authors.lastname: López Cacheiro
authors.forename: Berta
authors.initials: B
authors.lastname: Fernández
authors.forename: Jan
authors.initials: J
authors.lastname: Makarewicz