Journal
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
Volume 364, Issue 1848, Pages 2903-2916Publisher
ROYAL SOC
DOI: 10.1098/rsta.2006.1890
Keywords
discrete variable representation; resonances; lifetimes; rotational constants
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Calculations are discussed which characterize all the vibrational bound states of the H-3(+) and D2H+ molecular ions using a realistic ab initio potential energy surface. Graphical analysis and calculation of rotational constants show that both ions support a series of atom-diatom-like long-range states: asymptotic vibrational states. The role of these states in the H-3(+) system and other molecules is discussed. The vibrational calculations are extended above dissociation where the resulting (Feshbach) resonances are shown to be too short-lived to be of importance for the H-3(+) photodissociation spectrum.
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