Utilizing DFT to predict and analyze the hydrogen storage capacity and stability of magnesium based alloys - Aimen Habib Niazi (45642) (Islamabad (unpublished), 2024)
A dissertation submitted in the partial fulfillment of the requirements for the degree of Master of Philosophy in Physics to the Department of Basic Sciences.
Includes bibliographical references
Thesis supervisor: Dr. Sikandar Azam
Thesis (M.Phil.)--Riphah International University, 2024
English
Keywords: Physics -- Born oppenheimer approximation -- Hartree fock approximation -- Augmented plan wave -- Kohn-sham formalism -- DBS -- FEAS