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arXiv · 1703.10629

Electronic structure and time-dependent description of rotational predissociation of LiH

P. Jasik·J. E. Sienkiewicz·J. Domsta·N. E. Henriksen
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Abstract

Adiabatic potential energy curves of the $^1\Sigma^+$ and $^1\Pi$ states of the LiH molecule have been calculated. They correlate asymptotically to atomic states, like 2s+1s, 2p+1s, 3s+1s, 3p+1s, 3d+1s, 4s+1s, 4p+1s and 4d+1s. Very good agreement is found between our calculated spectroscopic parameters and experimental ones. The dynamics of the rotational predissociation process of the $1^1\Pi$ state has been studied by solving the time-dependent Schr\"{o}dinger equation. The classical experiment of Velasco [Can. J. Phys. {35}, 1204 (1957)] on dissociation in the $1^1\Pi$ state is explained in detail.

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P. Jasik, J. E. Sienkiewicz, J. Domsta, N. E. Henriksen. 2017-03-30. Electronic structure and time-dependent description of rotational predissociation of LiH. https://doi.org/10.1039/c7cp02097j

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