Department of Mathematics and Physics;
Southern University and A & M College;
Baton Rouge;
LA;
USA;
Department of Physics and Astronomy;
Texas Tech University;
Lubbock;
TX;
USA;
Density; Functional; Theory; (DFT); Local; Density; Approximation; (LDA); Linear; Combination; of; Atomic; Orbitals; (LCAO); Band; Gap; Band; Structure; The; Bagayoko; Zhao; and; Williams; (BZW); Method;