Transferable individual local pseudopotential for expanded liquid metals

B. Grosdidier, M. S. Al-Busaidi, S. M. Osman*

*المؤلف المقابل لهذا العمل

نتاج البحث: المساهمة في مجلةArticleمراجعة النظراء

7 اقتباسات (Scopus)


The evanescent-core individual EC(I) local pseudopotential proposed by Fiolhais et al., which was originally developed for solid state, is transferred into the expanded liquid state for Na, K, Rb and Cs. The dominant parameters R and α of EC(I) pseudopotential are made density dependent with the help of two conditions: (1) the stabilized jellium model with respect to the average valance-electron density parameter rs, (2) the enthalpy of the liquid should equal to realistic values at the same rs prediction of the stabilized jellium with effective valance Z* equals to one. We test the validity of our method by consulting the computer simulation effective pair-potential at melting point and the empirical entropy at the whole temperature range available for expanded liquids Na, K, Rb and Cs.

اللغة الأصليةEnglish
الصفحات (من إلى)3484-3487
عدد الصفحات4
دوريةJournal of Non-Crystalline Solids
مستوى الصوت353
رقم الإصدار32-40
المعرِّفات الرقمية للأشياء
حالة النشرPublished - أكتوبر 15 2007

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