Research Article
Calculation of the Quantum-Mechanical Tunneling in Bound Potentials
Table 3
Contribution of the ground state to the rate constants for the proton transfer model obtained using fully quantum and fully quasiclassical approaches. H and D label quantities relevant to reactions with hydrogen (proton) and deuterium, respectively; . The ground state energies of the QM and QC descriptions are listed in the last two columns.
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Asterisk marks /. |