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Correction Four-Component Dirac-Coulomb Using Gaussian Basis-Set and Gaussian Model Distribution for Super Heavy Element (Z=115)

Authors: Bilal K. Jasim --- Ayad A. Al-Ani --- Saad N. Abood
Journal: Iraqi Journal of Applied Physics المجلة العراقية للفيزياء التطبيقية ISSN: 18132065 23091673 Year: 2016 Volume: 12 Issue: 1 Pages: 17-21
Publisher: iraqi society for alternative and renewable energy sources and techniques الجمعية العراقية لمصادر وتقنيات الطاقة البديلة والمستجدة

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Abstract

In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using Gaussian basis function technique, in order to describe the upper and lower two components of the 4-spinors, respectively. Gaussian basis-set type dyall.v2z has been adopted to describe the correlation and polarization of 4-component wave function. The small component Gaussian basis functions have been generated from large component Gaussian basis functions using kinetic balance relation. The considered techniques have been applied for super heavy element 115Uup, in which the nuclei has large charge and the inner spinors s1/2 is strongly contracted. To solve the problem resulted from singularity at the origin for the 1s1/2 spinors. We adopting the Gaussian charge distribution model to describe the charge of nuclei. To calculate accurate properties of the atomic levels, we used Dirac-Hartree-Fock method, which have more flexibility through Gaussian basis-set to treat relativistic quantum calculation for system has many-particle.


Article
Correction Four-Component Dirac-Coulomb Using Gaussian Basis-Set and Gaussian Model Distribution for Super Heavy Element (Z=115)
تصحيح ديراك-كولوم رباعي العناصر باستخدام نظام القاعدة الكاوسية وتوزيع نموذج كاوس للعناصر فائقة الثقل

Authors: Bilal K. Jasim --- Ayad A. Al-Ani --- Saad N. Abood
Journal: Iraqi Journal of Applied Physics المجلة العراقية للفيزياء التطبيقية ISSN: 18132065 23091673 Year: 2017 Volume: 13 Issue: 1 Pages: 17-21
Publisher: iraqi society for alternative and renewable energy sources and techniques الجمعية العراقية لمصادر وتقنيات الطاقة البديلة والمستجدة

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Abstract

In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using Gaussian basis function technique, in order to describe the upper and lower two components of the 4-spinors, respectively. Gaussian basis-set type dyall.v2z has been adopted to describe the correlation and polarization of 4-component wave function. The small component Gaussian basis functions have been generated from large component Gaussian basis functions using kinetic balance relation. The considered techniques have been applied for super heavy element 115Uup, in which the nuclei has large charge and the inner spinors s1/2 is strongly contracted. To solve the problem resulted from singularity at the origin for the 1s1/2 spinors. We adopting the Gaussian charge distribution model to describe the charge of nuclei. To calculate accurate properties of the atomic levels, we used Dirac-Hartree-Fock method, which have more flexibility through Gaussian basis-set to treat relativistic quantum calculation for system has many-particle.

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