Quantum mechanics with the basis set guided by Ehrenfest trajectories: Theory and application to spin-boson model
- 22 June 2009
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 130 (24), 244101
- https://doi.org/10.1063/1.3153302
Abstract
In this article a method of numerical solution of the Schrödinger 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.Keywords
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