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A new numerical approach to solve Thomas–Fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming

In this study, a novel bio-inspired computing approach is developed to analyze the dynamics of nonlinear singular Thomas–Fermi equation (TFE) arising in potential and charge density models of an atom by exploiting the strength of finite difference scheme (FDS) for discretization and optimization thr...

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Autores principales: Raja, Muhammad Asif Zahoor, Zameer, Aneela, Khan, Aziz Ullah, Wazwaz, Abdul Majid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4994819/
https://www.ncbi.nlm.nih.gov/pubmed/27610319
http://dx.doi.org/10.1186/s40064-016-3093-5
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author Raja, Muhammad Asif Zahoor
Zameer, Aneela
Khan, Aziz Ullah
Wazwaz, Abdul Majid
author_facet Raja, Muhammad Asif Zahoor
Zameer, Aneela
Khan, Aziz Ullah
Wazwaz, Abdul Majid
author_sort Raja, Muhammad Asif Zahoor
collection PubMed
description In this study, a novel bio-inspired computing approach is developed to analyze the dynamics of nonlinear singular Thomas–Fermi equation (TFE) arising in potential and charge density models of an atom by exploiting the strength of finite difference scheme (FDS) for discretization and optimization through genetic algorithms (GAs) hybrid with sequential quadratic programming. The FDS procedures are used to transform the TFE differential equations into a system of nonlinear equations. A fitness function is constructed based on the residual error of constituent equations in the mean square sense and is formulated as the minimization problem. Optimization of parameters for the system is carried out with GAs, used as a tool for viable global search integrated with SQP algorithm for rapid refinement of the results. The design scheme is applied to solve TFE for five different scenarios by taking various step sizes and different input intervals. Comparison of the proposed results with the state of the art numerical and analytical solutions reveals that the worth of our scheme in terms of accuracy and convergence. The reliability and effectiveness of the proposed scheme are validated through consistently getting optimal values of statistical performance indices calculated for a sufficiently large number of independent runs to establish its significance.
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spelling pubmed-49948192016-09-08 A new numerical approach to solve Thomas–Fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming Raja, Muhammad Asif Zahoor Zameer, Aneela Khan, Aziz Ullah Wazwaz, Abdul Majid Springerplus Research In this study, a novel bio-inspired computing approach is developed to analyze the dynamics of nonlinear singular Thomas–Fermi equation (TFE) arising in potential and charge density models of an atom by exploiting the strength of finite difference scheme (FDS) for discretization and optimization through genetic algorithms (GAs) hybrid with sequential quadratic programming. The FDS procedures are used to transform the TFE differential equations into a system of nonlinear equations. A fitness function is constructed based on the residual error of constituent equations in the mean square sense and is formulated as the minimization problem. Optimization of parameters for the system is carried out with GAs, used as a tool for viable global search integrated with SQP algorithm for rapid refinement of the results. The design scheme is applied to solve TFE for five different scenarios by taking various step sizes and different input intervals. Comparison of the proposed results with the state of the art numerical and analytical solutions reveals that the worth of our scheme in terms of accuracy and convergence. The reliability and effectiveness of the proposed scheme are validated through consistently getting optimal values of statistical performance indices calculated for a sufficiently large number of independent runs to establish its significance. Springer International Publishing 2016-08-23 /pmc/articles/PMC4994819/ /pubmed/27610319 http://dx.doi.org/10.1186/s40064-016-3093-5 Text en © The Author(s) 2016 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
spellingShingle Research
Raja, Muhammad Asif Zahoor
Zameer, Aneela
Khan, Aziz Ullah
Wazwaz, Abdul Majid
A new numerical approach to solve Thomas–Fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming
title A new numerical approach to solve Thomas–Fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming
title_full A new numerical approach to solve Thomas–Fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming
title_fullStr A new numerical approach to solve Thomas–Fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming
title_full_unstemmed A new numerical approach to solve Thomas–Fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming
title_short A new numerical approach to solve Thomas–Fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming
title_sort new numerical approach to solve thomas–fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming
topic Research
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4994819/
https://www.ncbi.nlm.nih.gov/pubmed/27610319
http://dx.doi.org/10.1186/s40064-016-3093-5
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