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Relativistic analyse of extended norm-conserving pseudo-potentials


 
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1. Title Title of document Relativistic analyse of extended norm-conserving pseudo-potentials
 
2. Creator Author's name, affiliation, country Mounir NEJJAR; Laboratoire de Physique de la Matière Condensée (LPMC), Département de Physique, Faculté des Sciences, Université Ibn Tofail, BP 133-14000 Kénitra; Morocco
 
2. Creator Author's name, affiliation, country Ahmed QACHAOU; Laboratoire de Physique de la Matière Condensée (LPMC), Département de Physique, Faculté des Sciences, Université Ibn Tofail, BP 133-14000 Kénitra; Morocco
 
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4. Description Abstract Extended norm-conserving pseudopotentials developed by E. L. Shirley et al. [1] in non relativistic case, is obtained in present work in the relativistic case. We discuss the importance of the added relativistic terms and we carry out a test of this new extension on some transition-metal atoms. This correction enables us to adapt norm-conserving properties for relativistic pseudopotential used in the LDA (local-density approximation)[2] context.
 
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7. Date (YYYY-MM-DD) 10-03-2011
 
8. Type Status & genre Peer-reviewed Article
 
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9. Format File format PDF
 
10. Identifier Uniform Resource Identifier https://revues.imist.ma/index.php/MJCM/article/view/102
 
11. Source Title; vol., no. (year) Moroccan Journal of Condensed Matter; Vol 5, No 1 (2004)
 
12. Language English=en en
 
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15. Rights Copyright and permissions Copyright (c)