Department of Mathematics and Physics Southern University and A&M College Baton Rouge LA USA;
Department of Mathematics and Physics Southern University and A&M College Baton Rouge LA USA;
Department of Mathematics and Physics Southern University and A&M College Baton Rouge LA USA;
Department of Computer Science Southern University and A&M College Baton Rouge LA USA;
Department of Mathematics and Physics Southern University and A&M College Baton Rouge LA USA;
Density Functional Theory; Generalized Energy Minimization; Ground State Band Structure; Band Gap; Related Properties;