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

Density Functional Theory (DFT) is currently receiving a great deal of attention as chemists come to realize its important role as a tool for chemistry. This bo

Modern day's electronic structure theory of molecules, solids, materials, biomolecules, etc., heavily depends on the astounding success of density functional th

Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an increasingly larger role in a number of disciplines such as

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