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अमूर्त

Electronic configuration of Iron (Fe)

Fareed M. Mohammed, Abdu Hadi M. Ghaleb, Muataz A. Majeed, Mohammad N. Mohammed and Nawras S. Mohammed

Compton profile of Iron was calculated by adopting the Re-normalized-Free-Atom (RFA) and Free Electron models, choosing (3d7-x-4s1+x) configuration, whereas (x=0 to 1step 0.1). This result was compared with recent experimental values. It is seen that the RFA calculation for(3d6.7-4s1.3)configuration gives a better agreement with the experiment. This theoretical Compton profile data have been used to compute the cohesive energy of Iron for the first time and compared it with available data. Also we compute the Band structure and Density of state of Iron crystals(DFTLDA) using code Quantum wise