Asymptotic vibrational states of the H3+ molecular ion

Details Asymptotic vibrational states of the H3+ molecular ion Asymptotic vibrational states of the H3+ molecular ion

Sep 2005

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2005njph....7..196m&link_type=abstract

New Journal of Physics, Volume 7, Issue 1, pp. 196 (2005).

Physics

7

Scientific paper

Vibrational calculations for H3+ are performed using an accurate global ab initio potential energy surface. Fourteen bound states close to dissociation are found to have interesting long-range dynamics. These asymptotic vibrational states (AVS) are studied graphically by cuts through their wave functions and by calculating a rotational constant. These AVS, which overlap open system classical trajectories that form half-tori, should lead to an increased density of states near dissociation. Their influence on the infrared near-dissociation spectrum of H3+ remains to be determined.

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