Abstract: Some improving works have been done on the SCF-Xα-SW and LMTO Programs by vectorization and parallelization.The energy level of C₆₀ is researched.The 108 one electrom Rydberg excitation energies of benzene,such as 1e_1g,2e_2g,1a_2u→ka_1g(k=3-11),ke_2g(k=2-7),ke_1u(k=3-8),ke_1g(k=2-5),ke_2g(k=3-5),ke_2u(k=2-3),kb_2u(k=2-3),kb_1u(k=2-3),1b_1g,1b_2g are calculated.The electronic structure and bulk modulus of some U-Ni alloys are also analyzed.

Key words: C₆₀, Benzene Rydberg state, U-Ni alloys