Localized and delocalized bound states of the main isotopologue 48O3 and of 18O-enriched 50O3 isotopomers of the ozone molecule near the dissociation threshold

2020 ◽  
Vol 22 (28) ◽  
pp. 15885-15899 ◽  
Author(s):  
Viatcheslav Kokoouline ◽  
David Lapierre ◽  
Alexander Alijah ◽  
Vladimir Tyuterev
Keyword(s):  
Bound States ◽  
Ozone Formation ◽  
Ozone Molecule ◽  
Exchange Reactions ◽  
Dissociation Threshold ◽  
Rovibrational States ◽  
Isotopic Anomalies

Knowledge of highly excited rovibrational states of ozone isotopologues is of key importance for modelling the dynamics of exchange reactions, for understanding longstanding problems related to isotopic anomalies of the ozone formation, and for analyses of extra-sensitive laser spectral experiments currently in progress.

Investigation of Loosely Bound States of NO2Just below the First Dissociation Threshold†

2000 ◽  
Vol 104 (45) ◽  
pp. 10374-10382 ◽  
Author(s):  
Antoine Delon ◽  
Florian Reiche ◽  
Bernd Abel ◽  
Sergy Yu. Grebenshchikov ◽  
Reinhard Schinke
Keyword(s):  
Bound States ◽  
Dissociation Threshold

ROVIBRATIONAL BOUND STATES OF THE Ar2Ne COMPLEX

2013 ◽  
Vol 12 (01) ◽  
pp. 1250107 ◽  
Author(s):  
BENHUI YANG ◽  
BILL POIRIER
Keyword(s):  
Quantum Dynamics ◽  
Bound States ◽  
Energy Levels ◽  
Effective Potentials ◽  
Spectral Transform ◽  
Physical Insight ◽  
Rovibrational States ◽  
Three Body ◽  
Massive Parallelization ◽  
Variable Representation

We report exact quantum dynamics calculations of the eigenstate energy levels for the bound rovibrational states of the Ar2Ne complex, across the range of J values for which such states are observed (J = 0–35). All calculations have been carried out using the ScalIT suite of parallel codes. These codes employ a combination of highly efficient methods, including phase-space optimized discrete variable representation, optimal separable basis, and preconditioned inexact spectral transform (PIST) methods, together with an effective massive parallelization scheme. The Ar2Ne energy levels were computed using a pair-wise Aziz potential plus a three-body correction, in Jacobi co-ordinates. Effective potentials for the radial co-ordinates are constructed, which reveal important physical insight into the two distinct dissociation pathways, Ar2Ne → NeAr + Ar and Ar2Ne → Ar2 + Ne . A calculation of the bound vibrational (J = 0) levels, computed using the Tang–Toennies potential, is also performed for comparison with results from the previous literature.

Density of Loosely Bound States in a Triatomic Molecule: The Role of Long Range Interactions

2001 ◽  
Vol 215 (8) ◽  
Author(s):  
S. Heilliette ◽  
A. Delon ◽  
D.T. Jost ◽  
S.Yu. Grebenshchikov ◽  
R. Schinke ◽  
...  
Keyword(s):  
Long Range ◽  
Bound States ◽  
Quantum States ◽  
Equilibrium Geometry ◽  
Two Dimensional ◽  
Triatomic Molecule ◽  
Small Energy ◽  
Long Range Interactions ◽  
Dissociation Threshold

The influence of the long range forces between an atom and a diatomic fragment on the density of vibrational bound states is studied theoretically in the vicinity of the dissociation threshold of a model triatomic molecule. In the two-dimensional case (2D), where the non dissociating bond is frozen at the equilibrium geometry, the number of quantum states and their density is shown to increase quickly in a small energy interval close to the dissociation threshold

Periodic orbit assignment for spectra of highly excited molecular systems

1990 ◽  
Vol 332 (1625) ◽  
pp. 343-359 ◽  
Keyword(s):  
Periodic Orbits ◽  
Bound States ◽  
Hydrogen Exchange ◽  
Molecular Spectroscopy ◽  
Three Dimensional ◽  
High Energy ◽  
Coarse Grained ◽  
Molecular Spectra ◽  
Exchange Reactions ◽  
Molecular Scattering

Recent experiments in high-energy molecular spectroscopy have shown that coarse grained molecular spectra are often very simple, characterized by a few frequencies or correlation times. Experiments in molecular scattering such as the hydrogen exchange reactions have demonstrated the existence of short-lived resonances. I show that these seemingly differing experiments may be interpreted and assigned in terms of the normal modes of periodic orbits, which are determined by a linear stability analysis. Specific examples include three-dimensional resonances of the hydrogen exchange reaction as well as three-dimensional high-energy bound states of the Hg molecular ion. A new semiclassical quantization method based on unstable periodic orbits is presented and used to explain the observed scarring of high-energy quantum states.

High resolution laser spectroscopy of the ozone molecule at the dissociation threshold

2021 ◽  
Vol 34 (5) ◽  
pp. 315-322
Author(s):  
S.S. Vasilchenko ◽  
S. Kassi ◽  
D. Mondelain ◽  
A. Campargue
Keyword(s):  
High Resolution ◽  
Laser Spectroscopy ◽  
Ozone Molecule ◽  
Dissociation Threshold
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