Strategies to Incorporate a Variable Reduced Mass Into Analytical Quantum Tunneling Calculations

Quantum tunneling is extremely important in understanding reaction kinetics.
Well known methods use a fixed reduced mass which may introduce large errors.
We investigated displacements, mass weighted displacements and mass weighted cartesian coordinates.
Displacements and mass weighted displacements gave good results for the tunneling frequency.
Mass weighted coordinates facilitates calculating the reaction path but are inadequate to tunneling.