Permeability of one-dimensional potential barriers
- 1 January 1970
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Transactions of the Faraday Society
- Vol. 66, 2997-3006
- https://doi.org/10.1039/tf9706602997
Abstract
A numerical method is described for computing the exact permeability (tunnelling probability) for any one-dimensional potential barrier. It is used to test the validity of the widely-used approximate formulae for the tunnelling factors for truncated parabolic barriers. The method is also used to calculate tunnelling factors for the H+H2 exchange reaction, using the theoretical potential surface of Shavitt, Stevens, Minn and Karplus, and it is shown that standard Eckart and parabolic barrier approximations can yield considerable error.Keywords
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