Reaction coordinate method for quantum tunneling
- 15 February 1980
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (4) , 2324-2326
- https://doi.org/10.1063/1.439478
Abstract
A method based on the concept of reaction coordinates is presented for calculating the difference between the first two energy eigenvalues of the Schrödinger equation for a symmetric double-well potential. The method consists of using reaction coordinates to reduce the multidimensional Schrödinger equation to a simpler set of equations, which can then be solved numerically. The method is applied to a two-dimensional problem and the results are compared with those obtained for a special case where an exact solution is available. The agreement is very good.Keywords
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