Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 125, Issue 1, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2208611
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The multiconfiguration time-dependent Hartree (MCTDH) method is combined with the optimal control theory (OCT) to study femtosecond laser pulse control of multidimensional vibrational dynamics. Simulations are presented for the widely discussed three-electronic-level vibronic coupling model of pyrazine either in a three or four vibrational coordinate version. Thus, for the first time OCT is applied to a four-coordinate system. Different control tasks are investigated and also some general aspects of the OCT-MCTDH method combination are analyzed. (c) 2006 American Institute of Physics.
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