Journal of Chemical Physics, Vol.114, No.4, 1491-1496, 2001
Improved algorithm for corner-cutting tunneling calculations
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 CH3 + H-2 --> CH4 + H and to the double proton transfer in formamidine hydrate. (C) 2001 American Institute of Physics.