화학공학소재연구정보센터
Journal of Chemical Physics, Vol.103, No.19, 8412-8423, 1995
Delta-Target Optimal-Control of Molecular-Dynamics - Application to a Rotating Diatomic Molecule
The delta-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 delta-target technique to a practically interesting case of a diatomic molecule including rotation. Illustrative numerical examples are presented for the molecules NO and Na-2. The delta-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 delta-target optimal control technique can be successfully used-in the nonlinear regime. The possibility of extending the delta-target technique is considered for treating strong field nonlinear optimal control tasks. The computational advantages of the method are discussed.