The role of asymptotic vibrational states in H3+

Philos Trans A Math Phys Eng Sci. 2006 Nov 15;364(1848):2903-14; discussion 2915-6. doi: 10.1098/rsta.2006.1890.

Abstract

Calculations are discussed which characterize all the vibrational bound states of the H3+ 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 H3+ 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 H3+ photodissociation spectrum.

Publication types

  • Research Support, Non-U.S. Gov't