Book of Donmon Teith

Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and

Quantum mechanics can describe the detailed structure and behavior of matter, from electrons, atoms, and molecules, to the whole universe. It is one of the fiel

The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting th

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

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