4.6 Article

Hybrid Gaussian-B-spline basis for the electronic continuum: Photoionization of atomic hydrogen

期刊

PHYSICAL REVIEW A
卷 90, 期 1, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.90.012506

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资金

  1. European Research Council under the European Union [290853]
  2. European COST Action [CM1204 XLIC]
  3. MICINN [FIS2010-15127]

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As a first step towards meeting the recent demand for new computational tools capable of reproducing molecular-ionization continua in a wide energy range, we introduce a hybrid Gaussian-B-spline basis (GABS) that combines short-range Gaussian functions, compatible with standard quantum-chemistry computational codes, with B splines, a basis appropriate to represent electronic continua. We illustrate the performance of the GABS hybrid basis for the hydrogen atom by solving both the time-independent and the time-dependent Schrodinger equation for a few representative cases. The results are in excellent agreement with those obtained with a purely B-spline basis, with analytical results, when available, and with recent above-threshold ionization spectra from the literature. In the latter case, we report fully differential photoelectron distributions which offer further insight into the process of above-threshold ionization at different wavelengths.

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