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Toward ab initio modeling of strong field molecular ionization

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Abstract

A novel approach to calculating strong field ionization dynamics of multielectron molecular targets is presented. Adopting a multielectron wavefunction ansatz based on field-free ab initio neutral and ionic multielectron states, a set of coupled time-dependent single-particle Schrödinger equations describing the neutral amplitude and continuum electron are constructed. These equations, amenable to direct numerical solution or further analytical treatment, allow one to study multielectron effects during strong field ionization, recollision, and high harmonic generation. Computational results of strong field ionization on small (e.g. N2, CO2) to medium size (N2O4, 1,3-butadiene, n-butane, coronene) molecules will be considered.

© 2011 Optical Society of America

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