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Dissociating H₂⁺(²Σg⁺,JM=00) Ion as an Exploding Quantum Bubble

Pérez-Torres, Jhon F. – 2015

The nuclear and electronic probability and flux densities for a vibrating and dissociating H2+ molecular ion in the electronic and rotational ground state (corresponding to the quantum numbers 2Σg+,JM = 00) are calculated. As a consequence of the isotropy of the scenario, the vibrating H2+ appears as a pulsating quantum bubble, while the dissociating H2+ appears as an exploding quantum bubble. The dissociating part is represented by a discretization of the continuum through use of integrable B-spline basis set. It is shown that the vibrating part (the pulsating quantum bubble) interferes with the dissociating part (the exploding quantum bubble) and that the interference is much more noticeable in the probability density than in the flux density.

Title
Dissociating H₂⁺(²Σg⁺,JM=00) Ion as an Exploding Quantum Bubble
Author
Pérez-Torres, Jhon F.
Date
2015
Identifier
DOI: 10.1021/acs.jpca.5b00907
Source(s)
Citation
J. Phys. Chem. A 2015, 119, 12, 2895-2901