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Design of optimal laser pulses to control molecular rovibrational excitation in a heteronuclear diatomic molecule#

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Abstract

Optimal control theory in combination with time-dependent quantum dynamics is employed to design laser pulses which can perform selective vibrational and rotational excitations in a heteronuclear diatomic system. We have applied the conjugate gradient method for the constrained optimization of a suitably designed functional incorporating the desired objectives and constraints. Laser pulses designed for several excitation processes of the HF molecule were able to achieve predefined dynamical goals with almost 100% yield.

State selective control of vibrational and rotational molecular dynamics in HF by optimally designed laser pulses with high yields is reported.

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Authors and Affiliations

  1. Center for Computational Natural Sciences and Bioinformatics, International Institute of Information Technology, Hyderabad, 500 032, India

    SITANSH SHARMA & HARJINDER SINGH

  2. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, BS8 1TS, UK

    GABRIEL G BALINT-KURTI

Authors
  1. SITANSH SHARMA
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  2. GABRIEL G BALINT-KURTI
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  3. HARJINDER SINGH
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Correspondence to HARJINDER SINGH.

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Dedicated to Prof. N Sathyamurthy on his 60th birthday

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SHARMA, S., BALINT-KURTI, G.G. & SINGH, H. Design of optimal laser pulses to control molecular rovibrational excitation in a heteronuclear diatomic molecule# . J Chem Sci 124, 99–104 (2012). https://doi.org/10.1007/s12039-011-0198-9

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