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arXiv:1412.3905 · Journal of Physics B Atomic Molecular and Optical Physics

Contribution of resonance tunneling of molecule to physical observables

Pavel M. Krassovitskiy, Ф. М. Пеньков

Published Nov 7, 2014• 28 citations
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Abstract

Probabilities of resonant tunneling through a potential barrier are compared for a rigid molecule and an excited molecule. It is shown that the resonance spectrum is mainly governed by the transmission resonance spectrum of the rigid molecule. Analytical expressions for the probability for the tunneling of the rigid molecule through a barrier allow resonance-spectrum-averaged observables, including quantum diffusion, to be estimated.

DOI
10.1088/0953-4075/47/22/225210

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Probabilities of resonant tunneling through a potential barrier are compared for a rigid molecule and an excited molecule. It is shown that the resonance spectrum is mainly governed by the transmission resonance spectrum of the rigid molecule. Analytical expressions for the probability for the tunneling of the rigid molecule through a barrier allow resonance-spectrum-averaged observables, including quantum diffusion, to be estimated.
We study a diatomic homonuclear molecule incident upon a potential barrier. We allow transitions between binding energy states of the molecule during the process of tunneling and consider both single and double barriers. By applying an elegant method to solve this system we show that transmission resonances do occur in both cases and that expressions for the locations of the resonances can be found. Moreover, we find that the addition of binding energy levels tends to decrease the probability of tunneling. We also show that by relaxing rigor and treating the length of the molecule as though it is fixed we can obtain exact analytical expressions for the transmission probability that capture important features of the full solution.
We study a diatomic homonuclear molecule incident upon a potential barrier in three dimensions. We study various initial states for the molecule and allow transitions between rotational states of the molecule during the process of tunneling. By applying an elegant method to solve this problem we show that transmission resonances occur in several cases and that adding more binding energy levels for the molecule can tend to decrease the probability of tunneling. We also find that the probability of transmission can be enhanced by the addition of a second potential barrier. These results are in qualitative agreement with those found for the tunneling of a molecule in a one-dimensional model studied previously.
Exact solutions are obtained for the diffusion in single- and square-well potentials, by using the Laplace transform method. We compare transmission of a classical particle through one barrier of given length and through two barriers with a well between them of the same overall length. It turns out that the existence of a well facilitates the transmission of a classical particle for intermediate times, which bears some resemblance to resonances tunneling through quantum barriers. \textcopyright{} 1996 The American Physical Society.
We summarize our study of a diatomic homonuclear molecule incident upon a potential barrier in one dimension [G.L. Goodvin and M.R.A. Shegelski. Phys. Rev. A, 71, 032719 (2005).]. We study various initial states for the molecule and allow transitions between vibrational states of the molecule during the process of tunneling. By applying an elegant method to solve this problem, we show that transmission resonances occur in several cases and that adding more binding energy levels for the molecule can tend to decrease the probability of tunneling. We also discuss the extension of our results to more realistic three-dimensional and experimental systems.PACS Nos.: 34.20.Cf, 03.65.Xp, 34.20.Gj, 34.50.Pi
We study in three dimensions a diatomic homo-nuclear molecule with many bound states incident upon a potential barrier. We consider different initial states for the molecule and take into account transitions between rotational states of the molecule during the process in which the entire molecule tunnels past or is reflected by the external potential barrier. We show the manner in which the transmission resonances are affected by having many bound states. We find that the transmission probability profile in three dimensions is markedly different from that for two bound states in three dimensions, and for many bound states in one dimension. We find important new results. One result is that resonant or near resonant tunnelling and resonant or near resonant reflection can both occur within a small energy range of the molecule. We also find that tunnelling with transmission probability close to unity can occur over a wide energy range.