Mixed quantum-classical surface hopping dynamics

An algorithm is presented for the exact solution of the evolution of the density matrix of a mixed quantum-classical system in terms of an ensemble of surface hopping trajectories. The system comprises a quantum subsystem coupled to a classical bath whose evolution is governed by a mixed quantum-cla...

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Veröffentlicht in:	The Journal of chemical physics 2000-04, Vol.112 (15), p.6543-6553
Hauptverfasser:	Nielsen, Steve, Kapral, Raymond, Ciccotti, Giovanni
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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