Naslov
Long range intermolecular forces in triatomic systems: connecting the atom-diatom and atom-atom- atom representations

Autori
Cvitaš, Marko Tomislav ; Soldan, P. ; Hutson, J.M.

Izvornik
Molecular physics (0026-8976) 104 (2006), 1; 23-31

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
BOSE-EINSTEIN CONDENSATE ; FREQUENCY-DEPENDENT POLARIZABILITIES ; WAALS DISPERSION COEFFICIENTS ; ADAPTED PERTURBATION-THEORY ; DAMPING FUNCTIONS ; INTRAMOLECULAR DEPENDENCE ; MOLECULES ; ENERGIES ; SURFACES ; ALKALI

Sažetak
The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom- atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of three-body nonadditive coefficients. The anisotropy of atom-diatom C-6 dispersion coefficients arises primarily from nonadditive triple-dipole and quadruple-dipole forces, while pairwise-additive forces and nonadditive triple- dipole and dipole dipole-quadrupole forces contribute significantly to atom-diatom C-8 coefficients. The resulting expressions are applied to dispersion coefficients for Li + Li-2 (triplet) and recommendations are made for the best way to obtain global triatomic potentials that dissociate correctly both to three separated atoms and to an atom and a diatomic molecule.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA