Electron-correlation effects in enhanced ionization of molecules: A time-dependent generalized-active-space configuration-interaction study

S. Chattopadhyay, S. Bauch, and L. B. Madsen
Phys. Rev. A 92, 063423 – Published 28 December 2015

Abstract

We numerically study models of H2 and LiH molecules, aligned collinearly with the linear polarization of the external field, to elucidate the possible role of correlation in the enhanced-ionization (EI) phenomena. Correlation is considered at different levels of approximation with the time-dependent generalized-active-space configuration-interaction method. The results of our studies show that enhanced ionization occurs in multielectron molecules and that correlation is important, and they also demonstrate significant deviations between the results of the single-active-electron approximation and more accurate configuration-interaction methods. We further investigate the role of low-lying excited states in the EI phenomena. With the inclusion of correlation we show strong carrier-envelope-phase effects in the enhanced ionization of the asymmetric heteronuclear LiH-like molecule. The correlated calculation shows an intriguing feature of crossover in enhanced ionization with two carrier-envelope phases at critical internuclear separation.

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  • Received 7 August 2015

DOI:https://doi.org/10.1103/PhysRevA.92.063423

©2015 American Physical Society

Authors & Affiliations

S. Chattopadhyay1, S. Bauch2, and L. B. Madsen1

  • 1Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C, Denmark
  • 2Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany

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Vol. 92, Iss. 6 — December 2015

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