Intermolecular potential for thermal H2O-He collisions

Theoretical potentials for rotational excitation of H2O by He were constructed via several methods, all of which start with a large basis set SCF interaction. The semiempirical Hartree-Fock with damped dispersion model adds a damped long-range attraction with parameters adjusted to fit experimental...

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Veröffentlicht in:	The Journal of chemical physics 1988-08, Vol.89 (3), p.1401-1407
Hauptverfasser:	Palma, Amedeo, Green, Sheldon, Defrees, D. J., Mclean, A. D.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular collision processes and interactions Atomic And Molecular Physics Chemical Phenomena Chemistry, Physical Energy Transfer Exact sciences and technology Helium - chemistry Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions Models, Molecular Physics Space life sciences Water - chemistry
Online-Zugang:	Volltext
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