Van der Waals interaction energies of helium, neon, and argon with naphthalene

Authors
Clementi, E Corongiu, G
Citation
E. Clementi et G. Corongiu, Van der Waals interaction energies of helium, neon, and argon with naphthalene, J PHYS CH A, 105(45), 2001, pp. 10379-10383
Citations number
27
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
105
Issue
45
Year of publication
2001
Pages
10379 - 10383
Database
ISI
SICI code
1089-5639(20011115)105:45<10379:VDWIEO>2.0.ZU;2-M
Abstract
The Hartree-Fock and the Hartree-Fock-Clementi-Corongiu methods (Clementi, E.; Corongiu, G. Theochem. 2001, 543, 39) are selected to compute van der W aals potentials in the systems He-2, HeNe, HeAr, Ne-2, NeAr, Ar-2, benzene- He, benzene-Ne, and benzene-Ar and to determine the parameters needed for H F-CC computations of van der Waals interaction energies of naphthalene-He, naphthalene-Ne, and naphthalene-Ar; shallow double wells are predicted for the above naphthalene systems.