ISICS2011, an updated version of ISICS: A program for calculation K-, L-, and M-shell cross sections from PWBA and ECPSSR theories using a personal computer

Cipolla, Sam J.

doi:10.1016/j.cpc.2011.06.004

Cited by 44 publications

(19 citation statements)

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“…The PWBA and ECPSSR cross section tabulations distributed with the Geant4 code were produced with the ISICS 2008 version, which uses the Bearden and Burr binding energies. Recent updates to ISICS [49] offer the option of using Williams' compilation of binding energies as alternative values to the default Bearden and Burr's ones; a further evolution of ISICS [170] lets the user specify an arbitrary source of atomic binding energies, thus providing access to any of the options analyzed in this paper. This version, which was used to produce the data for this paper, involves new implementations of some parts of the ISICS code, which contribute to the numerical correctness and computational robustness of the software.…”

Section: Proton Impact Ionization Cross Sectionsmentioning

confidence: 99%

Evaluation of Atomic Electron Binding Energies for Monte Carlo Particle Transport

Pia

Seo

Batič

et al. 2011

IEEE Trans. Nucl. Sci.

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A survey of atomic binding energies used by general purpose Monte Carlo systems is reported. Various compilations of these parameters have been evaluated; their accuracy is estimated with respect to experimental data. Their effects on physics quantities relevant to Monte Carlo particle transport are highlighted: X-ray fluorescence emission, electron and proton ionization cross sections, and Doppler broadening in Compton scattering. The effects due to different binding energies are quantified with respect to experimental data. The results of the analysis provide quantitative ground for the selection of binding energies to optimize the accuracy of Monte Carlo simulation in experimental use cases. Recommendations on software design dealing with these parameters and on the improvement of data libraries for Monte Carlo simulation are discussed.

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Section: Proton Impact Ionization Cross Sectionsmentioning

confidence: 99%

Evaluation of Atomic Electron Binding Energies for Monte Carlo Particle Transport

Pia

Seo

Batič

et al. 2011

IEEE Trans. Nucl. Sci.

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“…The former adds rectifications due to projectile energy loss (E), Coulomb deflection of the incident ion (C), polarization and change in electron binding energies through a Perturbed Stationary States method (PSS), and relativistic values of target electron mass (R). A simple-to-use computer code to calculate the theoretical ECPSSR XRPCS was developed by Cipolla [18], known as ISICS.This tool also allows the inclusion of certain modifications to the model, like relativistic consideration of the ion velocity (RECPSSR) for K-shell ionization [19] or the UA approach. The values provided by this program are a very good basis to make comparisons among the various corrections and atomic parameters databases, as well as with experimental data.…”

Section: X-ray Production Cross Sections and Atomic Parameters Databasesmentioning

confidence: 99%

How do Uncertainties in Atomic Parameters Influence Theoretical Predictions of X-Ray Production Cross Sections By Proton Impact?

Miranda

2020

J. Nucl. Phy. Mat. Sci. Rad. A.

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The emission of characteristic X-rays induced by proton impact is a phenomenon known since the first half of the 20th century. Its more widely known application is the analytical technique Particle Induced X-ray Emission (PIXE). Several models have been developed to calculate, first, ionization cross sections and then the subsequent X-ray production cross sections. However, to carry out the comparisons of these predictions with experimental data it is necessary to use atomic parameters databases (fluorescence yields, Coster-Kronig transition probabilities, emission rates) that also have experimental uncertainties. In this work it is demonstrated how these values do not allow to decide which model describes more accurately the cross sections, due to a final “theoretical uncertainty” obtained through the propagation of the original uncertainties.

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“…Table 1. Comparison of the eCPSSR cross sections for K-shell ionization by protons as tabulated in ERCS09 [23] and evaluated with the ISICS code [24,25] and our code with the wrong (equation 13 For the algorithm that applies the inverted sequence of integration over W and Q, the integration limits are given in [30]. As the expressions [30] consider the PSS effect implicitly (assuming that the parameter θ S had already been multiplied by ζ S ), we rewrite these equations including the parameter ζ S explicitly:…”

Section: Wrong and Correct Exact Limits For Momentum Transfers In Thementioning

confidence: 99%

“…It was even believed that all codes using exact integration limits are incorrect and that only the original ECPSSR theory using the f S -function should be used [22]. Despite explicit warnings [16,21,22] about incorrect implementation of the ECPSSR theory, present computer codes such as ERCS08 (this acronym stands for electron removal cross sections) [23] and the latest edition of ISICS [24,25] continue to be in error. The reliance on these codes may give the wrong impression about the efficiency of the ECPSSR model, especially when it is compared with different empirical and semiempirical fits to the inner-shell ionization data [26].…”

Section: Introductionmentioning

confidence: 99%

Energy loss in the ECPSSR theory and its calculation with exact integration limits

Šmit¹,

Lapicki²

2014

J. Phys. B: At. Mol. Opt. Phys.

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ECPSSR cross sections for inner-shell ionization are compared with numerical calculations that use correct and wrong expressions for exact limits of momentum transfer. For very adiabatic collisions, the employment of the wrong expression, as done in several popularly utilized computer codes, overestimates the cross sections up to two orders of magnitude. By contrast, even in such collisions the original ECPSSR approach of Brandt and Lapicki that approximates the effect of projectile energy loss by a multiplicative correction function f S and the relativistic effects by a relativistically corrected electron mass yields cross sections that are in agreement within a factor of two with respect to the calculation with hydrogenic Dirac wavefunctions and exact limits of integration with no relativistic correction. For plane-wave Born approximation calculations, the relativistic corrected expressions of the exact limits of integration are presented. The cross section calculated with such limits differs from the ECPSSR calculation using the f S-function by less than 2% in the region of lowest collision velocities covered by experiments. A straightforward modification of the existing computer codes with the correct expression for exact momentum transfer is suggested.

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ISICS2011, an updated version of ISICS: A program for calculation K-, L-, and M-shell cross sections from PWBA and ECPSSR theories using a personal computer

Cited by 44 publications

References 0 publications

Evaluation of Atomic Electron Binding Energies for Monte Carlo Particle Transport

Evaluation of Atomic Electron Binding Energies for Monte Carlo Particle Transport

How do Uncertainties in Atomic Parameters Influence Theoretical Predictions of X-Ray Production Cross Sections By Proton Impact?

Energy loss in the ECPSSR theory and its calculation with exact integration limits

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