Abstract
Optimal control theory is applied to obtain infrared laser pulses for the selective vibrational excitation of a two mathematical dimensional model of carboxy-myoglobin. Density functional theory is used to obtain the potential energy and dipole moment surfaces of the active site model. The Conjugate gradient method is employed to optimize the cost functional and to obtain the optimized laser pulses. Optimized laser fields are found which give virtually 100% excitation probability to preselected vibrational levels. © 2008 Springer-Verlag Berlin Heidelberg.
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CITATION STYLE
Singh, H., Sharma, S., Kumar, P., Harvey, J. N., & Balint-Kurti, G. G. (2008). Design of optimal laser fields to control vibrational excitations in carboxy-myoglobin. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 5102 LNCS, pp. 387–395). https://doi.org/10.1007/978-3-540-69387-1_43
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