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Optimal laser pulses for controlling molecular processesAuthors: Sitansh Sharma,Purshotam Sharma,Harjinder Singh,Gabriel Balint-Kurti Conference: 5th Singapore India Colloborative and Cooperative Chemistry Symposium (Slnccc-5), Hyderabad, Feb 20-21, 2009. Date: 2009-09-01 Report no: IIIT/TR/2009/111 AbstractTime dependent quantum dynamics and optimal control theory are used to design laser pulses to control vibrational motion. The objective of the theory is to find a laser field which can steer the nuclear wavefunction of a system from an initial vibrational state to a desired target vibrational state. The conjugate gradient method is employed to optimize the field dependent cost functional. Infrared laser pulses are designed for selective vibrational excitations in several systems, from a simple diatomic to triatomics located in complex molecular environment. We have designed laser fields for selectve vibrational excitation in the diatomic system HF, triatomic systems Fe-C-O (present in carboxy-myoglobin) and hydrogen bonded N6-H(A)...O4(T) (present in adenine-thymine base pair). Optimized laser fields are obtained which give virtually 100% population transfer to preselected target vibrational levels. Centre for Computational Natural Sciences and Bioinformatics |
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