Vibrational predissociation dynamics of the nitric oxide dimer

We have studied the photofragmentation of NO dimer employing quasi-classical trajectories propagation using quantum probabilities distributions and Wigner distribution functions to determine the initial conditions of the system. The distributions of initial conditions in phase space, between Wigner...

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Bibliographic Details
Published in:The European physical journal. D, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2018-07, Vol.72 (7), p.1-6, Article 121
Main Authors: Borrell-Grueiro, Olivia, Baños-Rodríguez, Ubaldo, Márquez-Mijares, Maykel, Rubayo-Soneira, Jesús
Format: Article
Language:English
Subjects:
Applications of Nonlinear Dynamics and Chaos Theory
Atomic
Dimers
Distribution functions
Initial conditions
Molecular
Nitric oxide
Optical and Plasma Physics
Physical Chemistry
Physics
Physics and Astronomy
Quantum Information Technology
Quantum Physics
Regular Article
Spectroscopy/Spectrometry
Spintronics
Topical Issue: Atomic Cluster Collisions
Trajectories
Wigner distribution
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Summary:We have studied the photofragmentation of NO dimer employing quasi-classical trajectories propagation using quantum probabilities distributions and Wigner distribution functions to determine the initial conditions of the system. The distributions of initial conditions in phase space, between Wigner distribution functions and quantum probabilities distributions, are not so different. The photofragmentation of NO dimer depends strongly on the excitation of the initial state, especially for the lowest of them. These results are in concordance with experimental values where we can see a similar tendency for the lifetimes different vibrational modes that have been studied. In this work we explore more intramolecular and intermolecular vibrational modes. We have increased the number of trajectories and the dissociation distance in the simulation as well. Graphical abstract
ISSN:1434-6060
1434-6079
DOI:10.1140/epjd/e2018-90102-3