دراسة حسابية حديثة بنظرية الكثافة الوظيفية لحالة الطاقة الداخلية للعناصر الكيميائية في حالتها المستقرة
Keywords:
دالة الكثافة الوظيفية، الطاقة الداخلية للعناصرAbstract
In this study, the internal energy was calculated as a single study of the elements of the periodic table using the density functional theory, which is concerned with computing the electronic field of each element through the density of the electronic cloud, with the calculation of the computational wavelength, we found that the internal energy of the elements in this study depends on the atomic size of each element, so that the larger size of the atom will got greater internal energy but less stability of this element, also the lower of atomic size will got less internal energy but became more stable for this element, so it was The best stable energy for "S" group is magnesium (Mg = 200.0779-hartree) while the best stable energy for "P" group is krypton (Kr = 2750.165017-hartree) while the best stable energy for "d" group is zinc (Zn = 1778.955852-hartree) finally the best stable energy for "f" group is lutetium (Lu = 1236.2224939-hartree) so, can say the energy of the elements computationally DFT study will increases and decreases depends on the physical electronic levels of the atom, which depend mainly on the solutions of Schrödinger's differential equations, which gave us a better description of the physical field of the atom.
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