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J Chem Phys. 2004 Mar 22;120(12):5509-17.

Generalized monotonically convergent algorithms for solving quantum optimal control problems.

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  • 1Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan.


A wide range of cost functionals that describe the criteria for designing optimal pulses can be reduced to two basic functionals by the introduction of product spaces. We extend previous monotonically convergent algorithms to solve the generalized pulse design equations derived from those basic functionals. The new algorithms are proved to exhibit monotonic convergence. Numerical tests are implemented in four-level model systems employing stationary and/or nonstationary targets in the absence and/or presence of relaxation. Trajectory plots that conveniently present the global nature of the convergence behavior show that slow convergence may often be attributed to "trapping" and that relaxation processes may remove such unfavorable behavior.

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