With this grant in the Theoretical and Computational Program of the Chemistry Division, Professor Davidson will continue his development and application of new methodologies in the field of quantum chemistry for the purpose of understanding the very fundamental inner workings of molecules. In the new grant period efforts will be focused on developing and testing methods for predicting molecular properties of excited states, large molecules, molecules containing heavy atoms, and weakly interacting species. Of particular interest will be (e,2e) momentum distributions of small molecules, spin distributions in cationic magnesium clusters, and the source of metal-ligand bonding in the 3d transition metals.
