Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential

AbstractA benchmark calculation is presented for the quantum dynamics of tunnelling through a multidimensional asymmetric double well potential. A model Hamiltonian is used with a 1-dimensional tunnelling mode coupled to an (M−1)-dimensional harmonic bath, a system-bath problem. The benchmark calculation uses a basis set expansion of the wavefunction, with separate basis functions for the system and bath. Indistinguishability of configurations is exploited to greatly reduce the expense of the calculation, and a fully converged result is achieved. Comparison is offered to existing quantum dynamical methods that have tested this model problem, and further benchmark results not previously studied are presented