Theoretical Calculation of Relative Intensities in ESCA

Abstract

Calculations of the photoionization cross-sections of atomic and molecular levels for the A1Kα and MgKα lines depending on the wave function of the final and the initial states are analysed. The ns, np and nd photoionization cross-sections of atomic shells for Z ⩽ 36 and the HF, NH3, H2O, CH4, CH3F, CH2F2, CHF3, CF4, N2, CO and C2H4 molecular levels for the YMζ line and the photoionization cross-sections of atoms for Z ⩽ 36 and the CH4, N2 and H2O molecular levels for the ZrMζ line are calculated. The theoretical cross-sections of atoms for Z ⩽ 10 for the FKα line are presented too. Photoionization cross-section calculations using Hartree-Fock-Slater potential are in better agreement with the experiment than those using orthogonalized plane waves for photo-electron wave functions.