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Time-Dependent Density-Functional TheoryConcepts and Applications$
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Carsten A. Ullrich

Print publication date: 2011

Print ISBN-13: 9780199563029

Published to Oxford Scholarship Online: December 2013

DOI: 10.1093/acprof:oso/9780199563029.001.0001

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Strong-field phenomena and optimal control

Strong-field phenomena and optimal control

(p.374) 16 Strong-field phenomena and optimal control
Time-Dependent Density-Functional Theory

Carsten A. Ullrich

Oxford University Press

This chapter focuses on electronic phenomena that occur when atoms and molecules are exposed to strong and short laser pulses. Under these conditions, the external potential cannot be treated as a small perturbation. Several highly nonlinear effects are introduced and reviewed: multiphoton ionization, above-threshold ionization, and high-harmonic generation. The performance of time-dependent density-functional theory for these phenomena is discussed. A particular challenge is the enhancement of double ionization in rare-gas atoms, such as the so-called helium knee, due to strong correlation effects. This puts stringent demands on the exchange-correlation functional, and on the way in which one calculates ionization yields. Time-dependent density-functional theory has been successfully used to calculate high-harmonic spectra in atoms and molecules. Finally, the basics of optimal control theory are reviewed, and illustrated with an example. It is shown how control theory and time-dependent density-functional theory can be combined.

Keywords:   strong laser pulses, multiphoton ionization, above-threshold ionization, high-harmonic generation, rare-gas atoms, double ionization, optimal control theory

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