00876nam a22001697a 4500040003600000082001300036100003000049245011100079260003500190300003800225500016400263500004000427500004100467502006000508546001200568650012600580  cRiphah International University  a530bAIM  aAimen Habib Niazi (45642)  aUtilizing DFT to predict and analyze the hydrogen storage capacity and stability of magnesium based alloys  aIslamabadb(unpublished)c2024  axiv, 43 p.b: ill.c; 30 cm.e+CD  aA dissertation submitted in the partial fulfillment of the requirements for the degree of Master of Philosophy in Physics to the  Department of Basic Sciences.  aIncludes bibliographical references  aThesis supervisor: Dr. Sikandar Azam  aThesis (M.Phil.)--Riphah International University, 2024  aEnglish  aPhysics vBorn oppenheimer approximationvHartree fock approximationvAugmented plan wavevKohn-sham formalismvDBSvFEAS