화학공학소재연구정보센터
Chemical Physics Letters, Vol.641, 173-180, 2015
Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential
A 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. (C) 2015 Published by Elsevier B.V.