Quantum mechanics with the basis set guided by Ehrenfest trajectories: theory and application to spin-boson model.
In this article a method of numerical solution of the Schrodinger equation is proposed. The approach corrects the Ehrenfest approximation by using several trajectories/configurations with their amplitudes coupled within and across configurations, thus making the method formally exact. Accurate results are obtained for the spin-boson model with up to 2000 bath modes treated on fully quantum level without approximations.
Shalashilin
Dmitrii V
DV
School of Chemistry, University of Leeds, Leeds LS2 9JT, United Kingdom. d.shalashilin@leeds.ac.uk