Improved algorithm for corner-cutting tunneling calculations
- 22 January 2001
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 114 (4) , 1491-1496
- https://doi.org/10.1063/1.1329893
Abstract
We present an improved version of the large-curvature tunneling method that more accurately treats the anharmonic potentials encountered along low-energy corner-cutting tunneling paths. The method is illustrated by applications to the reaction and to the double proton transfer in formamidine hydrate.
Keywords
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