Sequential short-time propagation of quantum-classical dynamics
Sequential short-time propagation of quantum-classical dynamics
Publication Type:
Journal ArticleSource:
Journal of Physics Condensed Matter, Volume 14, Number 40 SPEC., p.9069-9076 (2002)URL:
https://www.scopus.com/inward/record.uri?eid=2-s2.0-0037078457&doi=10.1088%2f0953-8984%2f14%2f40%2f301&partnerID=40&md5=18b1dfd277a09854389d12b4896e7034Keywords:
Algorithms, Computer Simulation, Degrees of freedom (mechanics), Iterative methods, Kondo parameter, Liouville operator, Mathematical models, Mathematical operators, Parameter estimation, Quantum classical dynamics, Quantum Theory, Spin boson modelAbstract:
An algorithm for the simulation of quantum-classical dynamics is presented. Quantum-classical evolution is effected by a propagator exp(iL̂t) involving the quantum classical Liouville operator L̂ that describes the evolution of a quantum subsystem coupled to a classical bath. Such a mixed description provides a means to study the dynamics of complex many-body systems where certain degrees of freedom are treated quantum mechanically. The algorithm is constructed by decomposing the time interval t into small segments of length Δt and successively applying the propagator in the short time segments to obtain the evolution for long times. The algorithm is shown to be a discretization of the iterated Dyson form of the propagator whose direct solution is vexatious. The sequential short-time propagation algorithm is applied to the spin-boson model for a range of values of the Kondo parameter and shown to be effective.
