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Quantum Chemistry
Anti-alignment driven dynamics in the excited states of molecules under strong fields
arXiv
Authors: Sebastián Carrasco, José Rogan, Juan Alejandro Valdivia, Ignacio Sola
Year
2020
Paper ID
18234
Status
Preprint
Abstract Read
~2 min
Abstract Words
117
Citations
N/A
Abstract
We develop two novel models of the H2^+ molecule and its isotopes from which we assess quantum-mechanically and semi-classically whether the molecule anti-aligns with the field in the first excited electronic state. The results from both models allow us to predict anti-alignment dynamics even for the HD^+ isotope, which possesses a permanent dipole moment. The molecule dissociates at angles perpendicular to the field polarization in both the excited and the ground electronic state, as the population is exchanged through a conical intersection. The quantum mechanical dispersion of the initial state is sufficient to cause full dissociation. We conclude that the stabilization of these molecules in the excited state through bond-hardening under a strong field is highly unlikely.
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- We develop two novel models of the H2^+ molecule and its isotopes from which we assess quantum-mechanically and semi-classically whether the molecule anti-aligns with the field...
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