ABSTRACT

Once the general principles of Density Functional Theory (DFT) were presented (in previous chapter), further explorations of its extension will be here undertaken, that is for many electronic coupled spin systems (without discussing the diamagnetic effects that will imply the inclusion of the orbital’s currents also), for the excited and partially occupied states (without considering the junction with the spin coupling), for systems with internal symmetry in what regards their atomic or molecular orbital’s populations, for the non-Born-Oppenheimer molecular systems, for the non-stationary (or temporally dependent) systems, up to the systems with finite temperature in both fundamental or as the local inhomogeneous electronic fluid thermodynamics in Mermin and Parr pictures, respectively (Putz, 2008e).