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Design of optimal laser pulses to control molecular motionAuthors: Sitansh Sharma,Purshotam Sharma,Harjinder Singh,Gabriel Balint-Kurti Conference: Discussion Meeting on Theoretical Chemistry, SSCU, IISc Centenary Conference, Bangalore, January 18-22, 2009. Date: 2009-09-01 Report no: IIIT/TR/2009/108 AbstractOptimal Control Theory (OCT) has emerged as a powerful tool for designing laser pulses to achieve desired dynamical goals. The objective of the theory is to find a laser field which will transform the nuclear wavefunction of a system from an initial state to a desired final state using time-dependent quantum mechanical propagation in combination with an optimization algorithm. We have used OCT to design infrared laser pulses for selective vibrational excitations in several systems, from a simple diatomic to triatomics located in complex molecular environment. We have designed laser fields for vibrational control of the diatomic system HF, triatomic systems Fe- C-O (present in carboxy-myoglobin) and hydrogen bonded N6-H(A)...O4(T) (present in adeninethymine base pair). Optimized laser fields are realized which give virtually 100% population transfer to preselected target vibrational levels. Centre for Computational Natural Sciences and Bioinformatics |
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