화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.119, No.12, 2895-2901, 2015
Dissociating H-2(+)(Sigma(+)(g')JM=00) Ion as an Exploding Quantum Bubble
The nuclear and electronic probability and flux densities for a vibrating and dissociating H-2(+) molecular ion in the electronic and rotational ground state (corresponding to the quantum numbers 2 Sigma(+)(g),JM = 00) are calculated. As a consequence of the isotropy of the scenario, the vibrating H-2(+) appears as a pulsating quantum bubble, while the dissociating H-2(+) appears as an exploding quantum bubble. The dissociating part is represented by a discretization of the continuum through use of sigma(2) 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.