Nuclear shielding constants from localized local hybrid exchange-correlation potentials

Local hybrid functionals with position-dependent exact-exchange admixture have been evaluated for the first time in the calculation of non-thermochemical properties, the nuclear shielding constants of a test set of main group molecules. The associated 'localized local hybrid' potentials perform competitively with the best available functionals (see, e.g., Figure) and appear more universally applicable to different properties.