Book of Donmon Teith

Developments in the density functional theory and the methods of electronic structure calculations have made it possible to carry out ab-initio studies of a var

At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and me

These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions