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COARSE-GRAINED SPECTRA, DYNAMICS AND QUANTUM PHASE-SPACE STRUCTURES OF H-3+

DEPOLAVIEJA, GG; FULTON, NG; TENNYSON, J; (1994) COARSE-GRAINED SPECTRA, DYNAMICS AND QUANTUM PHASE-SPACE STRUCTURES OF H-3+. MOL PHYS , 83 (2) 361 - 379.

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Abstract

A fully quantum-based assignment system is presented and applied to 3D H3+ vibrational calculations. By analysing eigenstates in phase space using the Husimi function, dynamical information is used to find hidden localizations in groups of eigenfunctions. Localization onto several types of periodic orbit is described, including the excited horseshoe motion which has been suggested as an explanation of the features in the H3+ photodissociation spectrum of Carrington, A., and Kennedy, R. A., 1984, J. chem. Phys., 81, 91. However, other localizations are found at the dissociation energy which should not be ignored in the explanation of the Carrington-Kennedy spectrum.

Type:Article
Title:COARSE-GRAINED SPECTRA, DYNAMICS AND QUANTUM PHASE-SPACE STRUCTURES OF H-3+
Keywords:INFRARED PREDISSOCIATION SPECTRUM, BOUND-STATES, EIGENFUNCTIONS, SURFACES, SYSTEMS, H-3(+), ORBITS, SCARS, ION
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Physics and Astronomy

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