A simplified approach to optimally controlled quantum dynamics

Jair Botina, Herschel Rabitz, Naseem Rahman

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27 Scopus citations


A new formalism for the optimal control of quantum mechanical physical observables is presented. This approach is based on an analogous classical control technique reported previously [J. Botina, H. Rabitz, and N. Rahman, J. Chem. Phys. 102, 226 (1995)]. Quantum Lagrange multiplier functions are used to preserve a chosen subset of the observable dynamics of interest. As a result, a corresponding small set of Lagrange multipliers needs to be calculated and they are only a function of time. This is a considerable simplification over traditional quantum optimal control theory [S. Shi and H. Rabitz, Comp. Phys. Comm. 63, 71 (1991)]. The success of the new approach is based on taking advantage of the multiplicity of solutions to virtually any problem of quantum control to meet a physical objective. A family of such simplified formulations is introduced and numerically tested. Results are presented for these algorithms and compared with previous reported work on a model problem for selective unimolecular reaction induced by an external optical electric field.

Original languageEnglish (US)
Pages (from-to)4031-4040
Number of pages10
JournalJournal of Chemical Physics
Issue number11
StatePublished - 1996

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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