Interaction-induced polarizability invariants and the interatomic potential of the mercury diatom
Analytical models of the invariants (trace and anisotropy) of the diatom polarizability tensor are formulated that differ from existing models by the suppression of the classical long-range components at close range (“damping”). Such damping is imperative in diatomic systems where the long-range pol...
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Veröffentlicht in: | The Journal of chemical physics 1998-10, Vol.109 (14), p.5880-5885 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | Analytical models of the invariants (trace and anisotropy) of the diatom polarizability tensor are formulated that differ from existing models by the suppression of the classical long-range components at close range (“damping”). Such damping is imperative in diatomic systems where the long-range polarizability terms are relatively large and/or the collision energies are high so that substantial penetration of the electronic shells of the colliding atoms takes place, e.g., for collision-induced light scattering by mercury vapor at high temperatures. When a small number of physically meaningful parameters of the polarizability models are properly adjusted, the binary trace and anisotropy collision-induced spectra of mercury vapor are closely reproduced from theory in all details. An improved model of the Hg–Hg interaction potential, which reproduces the existing bound mercury dimer states as well as the viscosity data, includes a similar damping term for suppression of the dispersion part at close range. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.477210 |