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Intermolecular potential energy surfaces and bound states in F–HF

Meuwly, M.; Hutson, J.M.

Intermolecular potential energy surfaces and bound states in F–HF Thumbnail


M. Meuwly


Semiempiricalpotential energy surfaces for F–HF are constructed, based on recent Ne–HF, Ne–F, and Ne–Ne potentials. The electrostatic forces due to the quadrupole of the F atom are included. The potentials are presented in diabatic and adiabatic representations, with and without spin–orbit coupling. Fully coupled bound-state calculations are carried out, and the resulting energy levels and wave functions are analyzed. The well depth is 317 cm−1, and the ground state is bound by 174 cm−1. The complex is a promising candidate for spectroscopic observation, which would provide detailed information on the potential energy surfaces in the entrance and exit valleys of the F+HFreaction.


Meuwly, M., & Hutson, J. (2000). Intermolecular potential energy surfaces and bound states in F–HF. The Journal of Chemical Physics, 112(2), 592-600.

Journal Article Type Article
Acceptance Date Oct 12, 1999
Publication Date Jan 8, 2000
Deposit Date Jun 24, 2013
Publicly Available Date Aug 19, 2015
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 1089-7690
Publisher American Institute of Physics
Peer Reviewed Peer Reviewed
Volume 112
Issue 2
Pages 592-600


Published Journal Article (533 Kb)

Copyright Statement
© 2000 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics 112, 592 (2000) and may be found at

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