This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most

This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most

The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in t

The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing an

Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density