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arXiv · 1410.1904

CI-RMBPT calculations of photoionization cross sections from quasi-continuum oscillator strengths

I. M. Savukov·D. V. Filin
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Abstract

Many applications are in need of accurate photoionization cross-sections, especially in the case of complex atoms. Configuration-interaction relativistic many-body perturbation theory (CI-RMBPT) that has been successful in predicting atomic energies, matrix elements between discrete states, and other properties is quite promising, but it has not been applied to photo-ionization problems owing to extra complications arising from continuum states. In this paper a method that will allow the conversion of discrete CI-(R)MPBT oscillator strengths (OS) to photo-ionization cross sections with minimal modifications of the codes is introduced and CI-RMBPT cross sections of Ne, Ar, Kr, Xe are calculated. A consistent agreement with experiment is found. RMBPT corrections are particularly significant for Ar, Kr, and Xe and improve agreement with experiment compared to the particle-hole CI method. The demonstrated conversion method can be applied to CI-RMBPT photo-ionization calculations for a large number of multi-valence atoms and ions.

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I. M. Savukov, D. V. Filin. 2014-10-07. CI-RMBPT calculations of photoionization cross sections from quasi-continuum oscillator strengths. https://arxiv.org/abs/1410.1904

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