Fj. Weiper et al., EXACT AND SEMICLASSICAL DENSITY-MATRIX OF A PARTICLE MOVING IN A BARRIER POTENTIAL WITH BOUND-STATES, The Journal of chemical physics, 104(19), 1996, pp. 7526-7538
We present a barrier potential with bound states that is exactly solva
ble ansi determine the eigenfunctions and eigenvalues of the Hamiltoni
an. The equilibrium density matrix of a particle moving at temperature
T in this nonlinear barrier potential field is determined. The exact
density matrix is compared with the result of the path integral approa
ch in the semiclassical approximation. For opaque barriers the simple
semiclassical approximation is found to be sufficient at high temperat
ures while at low temperatures the fluctuation paths may have a causti
c depending on temperature and endpoints. Near the caustics the diverg
ence of the simple semiclassical approximation of the density matrix i
s removed by a nonlinear fluctuation potential. For opaque barriers th
e improved semiclassical approximation is again in agreement with the
exact result. In particular, bound states and the form of resonance st
ates are described accurately by the semiclassical approach. (C) 1996
American Institute of Physics.