TY - JOUR
T1 - Optimal molecular control in the harmonic regime
T2 - The methylene halide chemical series and fluorobenzene
AU - Schwieters, Charles D.
AU - Yao, Kenneth
AU - Rabitz, Herschel
PY - 1993
Y1 - 1993
N2 - In this paper, optimal control theory is applied to molecules described by harmonic force fields for the purpose of selectively exciting vibrational motion. The molecular parameters are taken from experiment, where possible. The results for different targets in the methylene halide chemical series are studied to learn how the control results track with the changing halogen constituent. It is seen that large differences in control results for different halogen constituents occur even when the target is a CH stretch. The in-plane modes of fluorobenzene are also studied to illustrate control in a larger realistic molecule with more complex connectivity. Aspects of molecule orientation relative to electric field polarization are addressed. In addition, a novel method of displaying dynamical motion is employed.
AB - In this paper, optimal control theory is applied to molecules described by harmonic force fields for the purpose of selectively exciting vibrational motion. The molecular parameters are taken from experiment, where possible. The results for different targets in the methylene halide chemical series are studied to learn how the control results track with the changing halogen constituent. It is seen that large differences in control results for different halogen constituents occur even when the target is a CH stretch. The in-plane modes of fluorobenzene are also studied to illustrate control in a larger realistic molecule with more complex connectivity. Aspects of molecule orientation relative to electric field polarization are addressed. In addition, a novel method of displaying dynamical motion is employed.
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U2 - 10.1021/j100137a008
DO - 10.1021/j100137a008
M3 - Article
AN - SCOPUS:33751385725
SN - 0022-3654
VL - 97
SP - 8864
EP - 8873
JO - Journal of physical chemistry
JF - Journal of physical chemistry
IS - 35
ER -