Munro, JJ;
Ramanlal, J;
Tennyson, J;
(2005)
Asymptotic vibrational states of the H-3(+) molecular ion.
NEW J PHYS
, 7
, Article 196. 10.1088/1367-2630/7/1/196.
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Abstract
Vibrational calculations for H-3(+) 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 H-3(+) remains to be determined.
| Type: | Article |
|---|---|
| Title: | Asymptotic vibrational states of the H-3(+) molecular ion |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/1367-2630/7/1/196 |
| Keywords: | BOUND-STATES, FLOPPY MOLECULES, SPECTRUM, DISSOCIATION, ENERGY, H-3+, COLLISIONS, THRESHOLD, ACCURATE |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10080 |
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