4.7 Article

Quantum mechanics with the basis set guided by Ehrenfest trajectories: Theory and application to spin-boson model

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 130, Issue 24, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.3153302

Keywords

boson systems; numerical analysis; quantum theory; Schrodinger equation; spin systems

Funding

  1. EPSRC-GB

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In this article a method of numerical solution of the Schroumldinger 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.

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