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Optimal control by computer

Optimal control by computer The use of computer simulations studying how laser light can control the behaviour of atoms and molecules is reviewed. A variety of control schemes have been developed and we focus on three commonly used approaches: optimal control, local control and strong-field control. An overview is given of the types of control that can be achieved of interest to chemists, namely molecular alignment and orientation, isomerisation and bond breaking and forming. The calculations are very computer intensive and results from both exact solutions to the time-dependent Schrödinger equation and approximate solutions using the commonly employed trajectory surface hopping approach are covered. Of particular interest is the recent work using strong-field control, which promises to be more general and powerful than approaches based on weak-fields that do not perturb the molecular potential energy surfaces. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Annual Reports Section "C" (Physical Chemistry) Royal Society of Chemistry

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Publisher
Royal Society of Chemistry
Copyright
This journal is © The Royal Society of Chemistry
ISSN
0260-1826
eISSN
1460-4787
DOI
10.1039/c3pc90003g
Publisher site
See Article on Publisher Site

Abstract

The use of computer simulations studying how laser light can control the behaviour of atoms and molecules is reviewed. A variety of control schemes have been developed and we focus on three commonly used approaches: optimal control, local control and strong-field control. An overview is given of the types of control that can be achieved of interest to chemists, namely molecular alignment and orientation, isomerisation and bond breaking and forming. The calculations are very computer intensive and results from both exact solutions to the time-dependent Schrödinger equation and approximate solutions using the commonly employed trajectory surface hopping approach are covered. Of particular interest is the recent work using strong-field control, which promises to be more general and powerful than approaches based on weak-fields that do not perturb the molecular potential energy surfaces.

Journal

Annual Reports Section "C" (Physical Chemistry)Royal Society of Chemistry

Published: May 14, 2013

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