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

• # Fulltext

https://www.ias.ac.in/article/fulltext/jcsc/124/01/0099-0104

• # Keywords

Optimal control; conjugate gradient; heteronuclear; laser pulse design.

• # 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.

• # Author Affiliations

1. Center for Computational Natural Sciences and Bioinformatics, International Institute of Information Technology, Hyderabad 500 032, India
2. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, UK

• # Journal of Chemical Sciences

Volume 132, 2020
All articles
Continuous Article Publishing mode

• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019