δ-target optimal control of molecular dynamics: Application to a rotating diatomic molecule

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Abstract

The δ-target method proposed recently [Chem. Phys. Lett. 235, 309 (1995)] was shown to significantly simplify the task of optimal control of molecular localization. The present paper is intended to study the application of the δ-target technique to a practically interesting case of a diatomic molecule including rotation. Illustrative numerical examples are presented for the molecules NO and Na2. The δ-target method is shown to provide good control when the rotational temperature is not too high. The optimal control solution is very robust and insensitive to small changes in the potential curves and transition dipole moment functions. It is shown that the field obtained within the linearized δ-target optimal control technique can be successfully used in the nonlinear regime. The possibility of extending the δ-target technique is considered for treating strong field nonlinear optimal control tasks. The computational advantages of the method are discussed.

Original languageEnglish (US)
Pages (from-to)8412-8423
Number of pages12
JournalThe Journal of chemical physics
Volume103
Issue number19
DOIs
StatePublished - Jan 1 1995

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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