POTENTIAL PARAMETERS FOR ANALYSIS OF CHEMICAL-SHIFTS FOR THE ELEMENTS LITHIUM TO ARGON

Chemical shifts in the core level photoelectron spectra and Auger spectra of atoms provide insight into the nature of the chemical bonding and the local electronic structure. Recent progress has been made in the development of a core potential model for chemical shifts which treats implicitly the effects of electron relaxation, charge transfer, screening and polarisation. Here we present calculated potential model parameters for the elements Li-Ar. A parameter related to electronegativity is introduced which depends on the charge state and orbital character of the valence electrons of these elements. The physical meanings of the parameters and their trends across the period are discussed.