title: Tunneling dynamics with a mixed quantum-classical method: quantum corrected propagator combined with frozen Gaussian wave packets.
abstract: The recently developed mixed quantum-classical propagation method is extended to treat tunneling effects in multidimensional systems. Formulated for systems consisting of a quantum primary part and a classical bath of heavier particles, the method employs a frozen Gaussian description for the bath degrees of freedom, while the dynamics of the quantum subsystem is governed by a corrected propagator. The corrections are defined in terms of matrix elements of zeroth-order propagators. The method is applied to a model system of a double-well potential bilinearly coupled to a harmonic oscillator. The extension of the method, which includes nondiagonal elements of the correction propagator, enables an accurate treatment of tunneling in an antisymmetric double-well potential.
authors.affiliation: Department of Biophysics, Albert Einstein College of Medicine, 1300 Morris Park Av., Bronx, New York 10461, USA.
authors.forename: David
authors.initials: D
authors.lastname: Gelman
authors.forename: Steven D
authors.initials: SD
authors.lastname: Schwartz
mesh_terms: D008962:Models, Theoretical; D016011:Normal Distribution; D011336:Probability; D011789:Quantum Theory