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arXiv · 2209.09607

Using a modified version of the Tavis-Cummings-Hubbard model to simulate the formation of neutral hydrogen molecule

Hui-hui Miao·Ozhigov Yuri Igorevich
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Abstract

A finite-dimensional chemistry model with two two-level artificial atoms on quantum dots positioned in optical cavities, called the association-dissociation model of neutral hydrogen molecule, is described. The initial circumstances that led to the formation of the synthetic neutral hydrogen molecule are explained. In quantum form, nuclei's mobility is portrayed. The association of atoms in the molecule is simulated through a quantum master equation, incorporating hybridization of atomic orbitals into molecular - depending on the position of the nuclei. Consideration is also given to electron spin transitions. Investigated are the effects of temperature variation of various photonic modes on quantum evolution and neutral hydrogen molecule formation. Finally, a more precise model including covalent bond and simple harmonic oscillator (phonon) is proposed.

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Hui-hui Miao, Ozhigov Yuri Igorevich. 2022-09-20. Using a modified version of the Tavis-Cummings-Hubbard model to simulate the formation of neutral hydrogen molecule. https://doi.org/10.1016/j.physa.2023.128851

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