skip to main content

SciTech ConnectSciTech Connect

Title: The vibrational dynamics of 3D HOCl above dissociation

We explore the classical vibrational dynamics of the HOCl molecule for energies above the dissociation energy of the molecule. Above dissociation, we find that the classical dynamics is dominated by an invariant manifold which appears to stabilize two periodic orbits at energies significantly above the dissociation energy. These stable periodic orbits can hold a large number of quantum states and likely can support a significant quasibound state of the molecule, well above the dissociation energy. The classical dynamics and the lifetime of quantum states on the invariant manifold are determined.
Authors:
;  [1] ;  [2]
  1. Center for Complex Quantum Systems and Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States)
  2. Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Av. Universidad 1001, 62251 Cuernavaca (Mexico)
Publication Date:
OSTI Identifier:
22415561
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; DISSOCIATION; DISSOCIATION ENERGY; HYPOCHLOROUS ACID; LIFETIME; MOLECULES; ORBITS; PERIODICITY; QUANTUM STATES; QUASIBOUND STATE