def azimuth(element): # Pemetaan bilangan kuantum azimut maksimum untuk masing-masing unsur azimuth = { 'Cl' : '3', 'Al' : '3', 'H': '1', 'Cu': '3', 'O' : '2', 'N' : '2', 'S' : '3', 'P' : '3', 'Br' : '3', 'Ca' : '2', 'F' : '2', 'I' : '3', 'K' : '2', 'Na' : '2', 'Zn' : '3', 'Li' : '2', 'B' : '2', 'Au' : '3', 'Rh' : '3', 'Ni' : '3', 'Co' : '3', 'Ti' : '3', 'C' : '2', 'Si': '3', 'Zr': '3', } return azimuth[element] def hubbard(element): U = {'Br':'-0.0573','C':'-0.1492','Ca':'-0.0340','Cl':'-0.0697','F':'-0.1623','H':'-0.1857','I':'-0.0433','K':'-0.0339','Mg':'-0.02','N':'-0.1535','Na':'-0.0454','O':'-0.1575','P':'-0.14','S':'-0.11','Zn':'-0.03','Li': '-0.04548','B':'-0.145'} return U[element]