The calculated ionization energy of rare earth 4f orbitals is often quite consistent with the experimental value by means of X_a method, but the electron population on 4f orbitals deviates from an integer too much, no...The calculated ionization energy of rare earth 4f orbitals is often quite consistent with the experimental value by means of X_a method, but the electron population on 4f orbitals deviates from an integer too much, no matter which method, the nonrelativistic展开更多
基金Project supported by the National Natural Science Foundation of China
文摘The calculated ionization energy of rare earth 4f orbitals is often quite consistent with the experimental value by means of X_a method, but the electron population on 4f orbitals deviates from an integer too much, no matter which method, the nonrelativistic
