Anti-alignment driven dynamics in the excited states of molecules under strong fields

• URL: http://arxiv.org/abs/2012.11316v1
• Date: Mon, 21 Dec 2020 13:29:31 GMT
• Title: Anti-alignment driven dynamics in the excited states of molecules under strong fields
• Authors: Sebasti\'an Carrasco, Jos\'e Rogan, Juan Alejandro Valdivia, Ignacio Sola
• Abstract summary: We develop two novel models of the H$+$ molecule and its isotopes. We assess quantum-mechanically and semi-classically whether the molecule anti-aligns with the field in the first excited electronic state. We conclude that the stabilization of these molecules in the excited state through bond-hardening under a strong field is highly unlikely.
• Score: 0.5849783371898033
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: We develop two novel models of the H$_2^+$ 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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