Molecular electronic property density functions: The nuclear magnetic shielding density

摘要

The general concept of a density function for a molecular electronic property is considered. The origin dependence of some electric and magnetic property densities is investigated and the nuclear magnetic shielding density function is used as a typical example. Density difference maps which reflect the changes in this electronic property upon molecule formation and bond extension are shown for the HF molecule and the related systems, the H atom and Fminus;ion.