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- W2043497962 abstract "Calculations on the vibration–rotation energy levels of the Van der Waals trimers Ar2–HF and Ar2–HCl are carried out, in order to investigate the role of three-body (non-pairwise-additive) forces. The present calculations focus on the lowest Van der Waals vibrational state formed from HX molecules in different intramolecular vibrational states, v. The calculations use both pairwise-additive potentials, derived from the accurately known Ar–Ar, Ar–HF and Ar–HCl potentials, and various different contributions to the three-body forces. All five intermolecular degrees of freedom are included. The red shift observed in the Ar2–HF fundamental band is fairly well predicted (within 0.5 cm–1) by the pairwise-additive potential, but the agreement with experiment is improved when non-additive forces are included. The rotational constants are found to be very sensitive to non-additive terms, and especially to the ‘exchange quadrupole’ term. Non-additive forces of the type usually used in studies of atomic forces, such as triple dipole forces, are found to be inadequate to reproduce the observed spectra." @default.
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- W2043497962 date "1994-01-01" @default.
- W2043497962 modified "2023-09-27" @default.
- W2043497962 title "Non-additive intermolecular forces from the spectroscopy of Van der Waals trimers: the effect of monomer vibrational excitation in Ar<sub>2</sub>–HF and Ar<sub>2</sub>–HCl" @default.
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- W2043497962 doi "https://doi.org/10.1039/fd9949700119" @default.
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