17 June 1994 Optimal control of product selectivity in the reations of polyatomic molecules: a reduced space analysis
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Abstract
The methods proposed for the control of the dynamical evolution of a quantum system are, in principle, applicable to molecules of any size. However, the complexity of the description of the states of a molecule with many degrees of freedom has the practical consequence that obtaining the information necessary to design a control field is very difficult. To overcome this difficulty we propose, for the case of enhancement of specific product formation in a unimolecular reaction, the use of a particular reduced description of the many body dynamics, namely, a constrained reaction path representation. The formalism for this scheme is sketched, and some of the consequences of the approximations used are briefly discussed.
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Stuart A. Rice, Meishan Zhao, "Optimal control of product selectivity in the reations of polyatomic molecules: a reduced space analysis", Proc. SPIE 2124, Laser Techniques for State-Selected and State-to-State Chemistry II, (17 June 1994); doi: 10.1117/12.178099; https://doi.org/10.1117/12.178099
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